N-methyl-5-[3-methyl-4-(2-methyl-3-oxidanyl-cyclohexen-1-yl)phenyl]carbonyl-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-methyl-5-[3-methyl-4-(2-methyl-3-oxidanyl-cyclohexen-1-yl)phenyl]carbonyl-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[4-(3-hydroxy-2-methyl-cyclohexen-1-yl)-3-methyl-benzoyl]-N-methyl-N-(3-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[4-(3-hydroxy-2-methyl-1-cyclohexenyl)-3-methylphenyl]-oxomethyl]-N-methyl-N-(3-pyridinylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[4-(3-hydroxy-2-methylcyclohexen-1-yl)-3-methylbenzoyl]-N-methyl-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[4-(3-hydroxy-2-methyl-cyclohexen-1-yl)-3-methyl-benzoyl]-N-methyl-N-(3-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C35H36N4O3 MolecularWeight: 560.68534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N(C)CC5=CN=CC=C5)C6=C(C(CCC6)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N(C)CC5=CN=CC=C5)C6=C(C(CCC6)O)C

InChI

InChI=1S/C35H36N4O3/c1-23-18-26(13-15-29(23)30-10-6-12-33(40)24(30)2)34(41)39-22-28-14-16-32(38(28)21-27-9-4-5-11-31(27)39)35(42)37(3)20-25-8-7-17-36-19-25/h4-5,7-9,11,13-19,33,40H,6,10,12,20-22H2,1-3H3