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1,4-benzodiazepines
Description:
Organic compounds containing a benzene ring fused to a 1,4-azepine.
Ancestors:
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(7-Chloro-2,3-Dihydro-2-Oxo-5-Phenyl-1H-Benzo-1,4-Diazepin-3-Yl) Hydrogen SuccinateCas Number: 4700-56-5Formula: C19H15ClN2O5 Molecular Weight: 386.7858SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)OInChIKey: UCUOKZUJHTYPJT-UHFFFAOYSA-NInChI: InChI=1S/C19H15ClN2O5/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24)
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BretazenilCas Number: 84379-13-5 Compound CID: 107926Formula: C19H20BrN3O3 Molecular Weight: 418.28IUPAC Name: tert-butyl (7S)-14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylateSMILES: CC(C)(C)OC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC=C4BrInChIKey: LWUDDYHYYNNIQI-ZDUSSCGKSA-NInChI: InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
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3-[(S)-7-bromo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-propionic acid methyl esterCas Number: 308242-23-1Formula: C18H16BrN3O3 Molecular Weight: 402.24IUPAC Name: methyl 3-[(3S)-7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoateSMILES: COC(=O)CCC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3InChIKey: PITXBYGUVDYTBQ-HNNXBMFYSA-NInChI: InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1Synonyms: (S)-Methyl 3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate | 1H-1,4-Benzodiaze...
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7-Bromo-4-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dioneCas Number: 78756-36-2 Compound CID: 5297644Formula: C10H9BrN2O2 Molecular Weight: 269.09IUPAC Name: 7-bromo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dioneSMILES: CN1CC(=O)NC2=C(C1=O)C=C(C=C2)BrInChIKey: KKJBJTGEGMJZCG-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
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10,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepineCas Number: 22162-53-4 Compound CID: 15547048Formula: C12H12N2 Molecular Weight: 184.24IUPAC Name: 6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepineSMILES: C1C2=CC=CN2CC3=CC=CC=C3N1InChIKey: POAQFKSUTQWHMZ-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-7,13H,8-9H2
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1-Methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dioneCas Number: 1133-42-2 Compound CID: 3562387Formula: C10H10N2O2 Molecular Weight: 190.2IUPAC Name: 1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dioneSMILES: CN1C(=O)CNC(=O)C2=CC=CC=C21InChIKey: MUESRUHFMTYDIT-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c1-12-8-5-3-2-4-7(8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)
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tert-Butyl 7-bromo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylateCas Number: 886364-30-3 Compound CID: 25417642Formula: C14H19BrN2O2 Molecular Weight: 327.222IUPAC Name: tert-butyl 7-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylateSMILES: CC(C)(C)OC(=O)N1CCNC2=C(C1)C=C(C=C2)BrInChIKey: XTVVPYZXTUZWFG-UHFFFAOYSA-NInChI: InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-7-6-16-12-5-4-11(15)8-10(12)9-17/h4-5,8,16H,6-7,9H2,1-3H3
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3,4-Dihydro-1H-benzo[e][1,4]diazepin-5(2H)-oneCas Number: 28544-83-4 Compound CID: 13703324Formula: C9H10N2O Molecular Weight: 162.19IUPAC Name: 1,2,3,4-tetrahydro-1,4-benzodiazepin-5-oneSMILES: C1CNC(=O)C2=CC=CC=C2N1InChIKey: WCNVOWWRJIZZKA-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O/c12-9-7-3-1-2-4-8(7)10-5-6-11-9/h1-4,10H,5-6H2,(H,11,12)
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3,4-Dihydro-1H-1,4-benzodiazepine-2,5-dioneCas Number: 5118-94-5 Compound CID: 600572Formula: C9H8N2O2 Molecular Weight: 176.18IUPAC Name: 3,4-dihydro-1H-1,4-benzodiazepine-2,5-dioneSMILES: C1C(=O)NC2=CC=CC=C2C(=O)N1InChIKey: AZHGGDCFQPMANU-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)Synonyms: 3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
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alpha-Hydroxyalprazolam solutionCas Number: 37115-43-8 Compound CID: 162244Formula: C17H13ClN4O Molecular Weight: 324.76IUPAC Name: (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanolSMILES: C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)COInChIKey: ZURUZYHEEMDQBU-UHFFFAOYSA-NInChI: InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
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GidazepamCas Number: 129186-29-4 Compound CID: 121919Formula: C17H15BrN4O2 Molecular Weight: 387.2IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazideSMILES: C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NNInChIKey: XLGCMZLSEXRBSG-UHFFFAOYSA-NInChI: InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
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7-Aminoclonazepam(CRM)Cas Number: 4959-17-5 Compound CID: 188298Formula: C15H12ClN3O Molecular Weight: 285.73IUPAC Name: 7-amino-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-oneSMILES: C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3ClInChIKey: HEFRPWRJTGLSSV-UHFFFAOYSA-NInChI: InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
