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

Systemtic Name: 5-[3-methyl-4-(2-methylphenyl)phenyl]carbonyl-N-[[4-(phenylcarbonyl)phenyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[(4-benzoylphenyl)methyl]-5-[3-methyl-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[(4-benzoylphenyl)methyl]-5-[[3-methyl-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[(4-benzoylphenyl)methyl]-5-[3-methyl-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(4-benzoylbenzyl)-5-[3-methyl-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C42H35N3O3 MolecularWeight: 629.7456

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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=C(C=C6)C(=O)C7=CC=CC=C7)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=C(C=C6)C(=O)C7=CC=CC=C7)C

InChI

InChI=1S/C42H35N3O3/c1-28-10-6-8-14-36(28)37-22-20-33(24-29(37)2)42(48)45-27-35-21-23-39(44(35)26-34-13-7-9-15-38(34)45)41(47)43-25-30-16-18-32(19-17-30)40(46)31-11-4-3-5-12-31/h3-24H,25-27H2,1-2H3,(H,43,47)