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

Systemtic Name: N-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H34N4O5 MolecularWeight: 602.67896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=C(C(=NC=C6CO)C)O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=C(C(=NC=C6CO)C)O)OC

InChI

InChI=1S/C36H34N4O5/c1-22-8-4-6-10-28(22)29-14-12-24(16-33(29)45-3)36(44)40-20-27-13-15-32(39(27)19-25-9-5-7-11-31(25)40)35(43)38-18-30-26(21-41)17-37-23(2)34(30)42/h4-17,41-42H,18-21H2,1-3H3,(H,38,43)