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1,4-benzodiazepines

Description:

Organic compounds containing a benzene ring fused to a 1,4-azepine.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzodiazepines ⮕ 1,4-benzodiazepines
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Items 49-60 of 95

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  1. UH-AH 37
    IUPAC Name:  1-chloro-11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
    SMILES:  CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2
    InChIKey: UFJWXHOFKIGIAF-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H22ClN3O2/c1-24-11-9-14(10-12-24)13-19(26)25-18-8-3-2-5-15(18)21(27)23-17-7-4-6-16(22)20(17)25/h2-8,14H,9-13H2,1H3,(H,23,27)
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  2. SGC6870
    IUPAC Name:  (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
    SMILES:  Cc1cc(C)cc(c1)[C@@H]1c2cc(C)ccc2NC(=O)CN1C(=O)c1ccc(s1)Br
    InChIKey: NIPTUMFVYBXSMZ-JOCHJYFZSA-N
    InChI:  InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/show more
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  3. RY024
    Cas Number: 173990-15-3        Compound CID:  9927764
    IUPAC Name:  tert-butyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
    SMILES:  C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C
    InChIKey: YTUMMZANIYQNOM-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
    Synonyms: RY 024;RY-024
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  4. RG-1530
    IUPAC Name:  5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
    SMILES:  COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C
    InChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
    Synonyms: EX-A2311 | NSC767953 | NSC-767953 | UNII-XQJ55R5PPQ | 5-(2-Chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1,2-dihydrobenzo...
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  5. RO4938581
    IUPAC Name:  15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentaazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(17),3,5,9,11,13,15-heptaene
    SMILES:  Brc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F
    InChIKey: AFJRYPJIKHMNGL-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2
    Synonyms: J-690380 | ZK5NA2M82J | 3-Bromo-10-(difluoromethyl)-9H-imidazo(1,5-a)(1,2,4)triazolo(1,5-d)(1,4)benzodiazepine | AFJR...
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  6. ME bromodomain inhibitor
    IUPAC Name:  methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
    SMILES:  COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C
    InChIKey: FENXDXHDXYVGRJ-BLVKFPJESA-N
    InChI:  InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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  7. L-740093
    Cas Number: 154967-59-6        Compound CID:  132980
    IUPAC Name:  1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
    SMILES:  Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
    InChIKey: QYERABWMFRRINX-XWEVFREBSA-N
    InChI:  InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,show more
    Synonyms: 1-[(R)-5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea | N-...
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  8. ET bromodomain inhibitor
    IUPAC Name:  methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
    SMILES:  COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC
    InChIKey: WGMDCNPABCIZCD-UTKZUKDTSA-N
    InChI:  InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+show more
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  9. BODIPY-pirenzepine
    IUPAC Name:  3-[1-difluoroboranyl-5-[(E)-(5-thiophen-2-ylpyrrol-2-ylidene)methyl]pyrrol-2-yl]-N-[6-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyshow more
    SMILES:  O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
    InChIKey: QGXCAYBSIKPOHP-ORIPQNMZSA-N
    InChI:  InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)5show more
    Synonyms: Bodipy[558/568]Pirenzepine | BoPz
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  10. (7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one
    SMILES:  CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1
    InChIKey: MZUNJRMUTJBHGB-LJAQVGFWSA-N
    InChI:  InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/show more
    Synonyms: compound 2
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  11. Ethyl 8-bromo-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
    Cas Number: 78756-37-3
    Formula:  C15H14BrN3O3        Molecular Weight: 364.19
    IUPAC Name:  ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
    SMILES:  CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Br)C
    InChIKey: NFMFVESVKLVYJR-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
    Synonyms: Ethyl 8-bromo-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate | 8-Bromo-5-methyl-6-o...
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  12. TC AC 28
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 1809296-92-1        Compound CID:  118121364
    Formula:  C23H21N5O3        Molecular Weight: 415.44
    IUPAC Name:  methyl 2-[6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
    SMILES:  CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)OC)C4=C5C=CNC5=CC=C4
    InChIKey: RARZHTSXOQRRPR-UHFFFAOYSA-N
    InChI:  InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
    Synonyms: 6-(1H-Indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid methyl ester
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