5-[4-(2-methoxyphenyl)-3-methyl-phenyl]carbonyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-[4-(2-methoxyphenyl)-3-methyl-phenyl]carbonyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[4-(2-methoxyphenyl)-3-methyl-benzoyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[4-(2-methoxyphenyl)-3-methylphenyl]-oxomethyl]-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[4-(2-methoxyphenyl)-3-methylbenzoyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[4-(2-methoxyphenyl)-3-methyl-benzoyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C35H38N4O3 MolecularWeight: 562.70122

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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)NCCC5CCCN5C)C6=CC=CC=C6OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NCCC5CCCN5C)C6=CC=CC=C6OC

InChI

InChI=1S/C35H38N4O3/c1-24-21-25(14-16-29(24)30-11-5-7-13-33(30)42-3)35(41)39-23-28-15-17-32(38(28)22-26-9-4-6-12-31(26)39)34(40)36-19-18-27-10-8-20-37(27)2/h4-7,9,11-17,21,27H,8,10,18-20,22-23H2,1-3H3,(H,36,40)