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Benzodiazepines

Description:

Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
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  1. MK-7725
    Cas Number: 1034152-95-8        Compound CID:  46200989
    IUPAC Name:  2-[3-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
    SMILES:  FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F
    InChIKey: WQQNCCUPGPFWOI-UHFFFAOYSA-N
    InChI:  InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,show more
    Synonyms: 1034152-93-6 | BDBM50381914 | 44SP3I6R9G | SCHEMBL1085809 | 1034152-95-8 | Q27086885 | 2-[3-[6-[4-(trifluoromethoxy)p...
  2. GW841819X
    Cas Number: 146135-18-4        Compound CID:  13953710
    Formula:  C25H21N5O2        Molecular Weight: 423.47
    IUPAC Name:  benzyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
    SMILES:  CC1=NN=C2N1C3=CC=CC=C3C(=NC2NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5
    InChIKey: TUWDLUFFAHHNEF-UHFFFAOYSA-N
    InChI:  InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31show more
    Synonyms: KB-75882
  3. GYKI53655
    Cas Number: 143692-18-6        Compound CID:  126758
    IUPAC Name:  5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
    SMILES:  CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3
    InChIKey: SMGACXZFVXKEAX-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)
    Synonyms: FT-0765288 | SMGACXZFVXKEAX-UHFFFAOYSA-N | MLS006010331 | GYKI53655 | GYKI-53655 | LY 300168 | LY300168 | LY-300168 |...
  4. Glaxo-11p
    IUPAC Name:  N-(4-dimethylaminophenyl)-2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-propan-2-ylacetamide
    SMILES:  O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1
    InChIKey: GESRVUYUMYPJBC-UHFFFAOYSA-N
    InChI:  InChI=1S/C35H36N6O4/c1-24(2)40(28-21-19-26(20-22-28)38(3)4)31(42)23-39-29-17-11-12-18-30(29)41(27-15-9-6-10-16-27)34(44)32(33(39)43)37-35(45)36-25-13-show more
  5. 6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
    IUPAC Name:  6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
    SMILES:  Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C
    InChIKey: OAIVSBLLDFJYMS-UHFFFAOYSA-N
    InChI:  InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,show more
    Synonyms: compound 8a
  6. tifluadom
    Cas Number: 83386-35-0        EC Number: 280-380-4        Compound CID:  115208
    IUPAC Name:  N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
    SMILES:  CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CSC=C4
    InChIKey: NPGABYHTDVGGJK-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
    Synonyms: N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide | TF8X866L0I | ZINC...
  7. tripitramine
    Cas Number: 152429-64-6        Compound CID:  132947
    IUPAC Name:  11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexyl-[2-oxo-2-(6-oxo-5H-show more
    SMILES:  CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C
    InChIKey: YUJOQEAGGUIMED-UHFFFAOYSA-N
    InChI:  InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22show more
    Synonyms: 11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octy...
  8. neurounina-1
    IUPAC Name:  7-nitro-5-phenyl-1-(pyrrolidin-1-ylmethyl)-3H-1,4-benzodiazepin-2-one
    SMILES:  O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1
    InChIKey: CUVPPONHRDLGFB-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H20N4O3/c25-19-13-21-20(15-6-2-1-3-7-15)17-12-16(24(26)27)8-9-18(17)23(19)14-22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13-14H2
  9. guanylpirenzepine
    Cas Number: 700342-20-7        Compound CID:  129786
    IUPAC Name:  4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide
    SMILES:  NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
    InChIKey: YGBQWISDDSXPRF-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H21N7O2/c20-19(21)25-10-8-24(9-11-25)12-16(27)26-15-6-2-1-4-13(15)18(28)23-14-5-3-7-22-17(14)26/h1-7H,8-12H2,(H3,20,21)(H,23,28)
  10. balovaptan
    Cas Number: 1228088-30-9        Compound CID:  46200932
    Formula:  C22H24ClN5O        Molecular Weight: 409.9
    IUPAC Name:  8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
    SMILES:  CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCC(CC4)OC5=CC=CC=N5)C1
    InChIKey: GMPZPHGHNDMRKL-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2show more
    Synonyms: SCHEMBL3332136 | 8-Chloro-5-methyl-1-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][1,2,4]triazolo[4...
  11. [¹⁸F]fluoroethylflumazenil
    IUPAC Name:  ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
    SMILES:  [18F]CCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC
    InChIKey: NRBIGDVWCXXFLI-SJPDSGJFSA-N
    InChI:  InChI=1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1
    Synonyms: Fluoroethylflumazenil F-18 | DTXSID80162498 | 3N422P20J8 | SCHEMBL11940819 | UNII-3N422P20J8 | GTPL4368 | ethyl 8-flu...
  12. [¹²⁵I]-BDZ₂
    IUPAC Name:  1-(3-iodanylphenyl)-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
    SMILES:  [125I]c1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
    InChIKey: VLKJKVMACAESPP-MRDSYVANSA-N
    InChI:  InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0show more
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