N-(3-imidazol-1-ylpropyl)-5-(3-methoxy-4-naphthalen-1-yl-phenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-(3-methoxy-4-naphthalen-1-yl-phenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-5-[3-methoxy-4-(1-naphthyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-5-[[3-methoxy-4-(1-naphthalenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-(3-methoxy-4-naphthalen-1-ylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-5-[3-methoxy-4-(1-naphthyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C37H33N5O3 MolecularWeight: 595.68962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NCCCN5C=CN=C5)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NCCCN5C=CN=C5)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C37H33N5O3/c1-45-35-22-27(14-16-32(35)31-12-6-10-26-8-2-4-11-30(26)31)37(44)42-24-29-15-17-34(41(29)23-28-9-3-5-13-33(28)42)36(43)39-18-7-20-40-21-19-38-25-40/h2-6,8-17,19,21-22,25H,7,18,20,23-24H2,1H3,(H,39,43)