N-[[3-(aminomethyl)phenyl]methyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-5-[3-methyl-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-5-[[3-methyl-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-5-[3-methyl-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-5-[3-methyl-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H34N4O2 MolecularWeight: 554.68076

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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=CC=CC(=C6)CN)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CC=CC(=C6)CN)C

InChI

InChI=1S/C36H34N4O2/c1-24-8-3-5-12-31(24)32-16-14-28(18-25(32)2)36(42)40-23-30-15-17-34(39(30)22-29-11-4-6-13-33(29)40)35(41)38-21-27-10-7-9-26(19-27)20-37/h3-19H,20-23,37H2,1-2H3,(H,38,41)