5-[5-chloranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]carbonyl-N-methyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-[5-chloranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]carbonyl-N-methyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-methyl-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[5-chloro-2-methoxy-4-(3-methoxyphenyl)phenyl]-oxomethyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-methyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-methyl-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H33ClN4O4 MolecularWeight: 621.12462

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C2=CC=C3N2CC4=CC=CC=C4N(C3)C(=O)C5=C(C=C(C(=C5)Cl)C6=CC(=CC=C6)OC)OC

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)C2=CC=C3N2CC4=CC=CC=C4N(C3)C(=O)C5=C(C=C(C(=C5)Cl)C6=CC(=CC=C6)OC)OC

InChI

InChI=1S/C36H33ClN4O4/c1-39(18-16-26-11-6-7-17-38-26)36(43)33-15-14-27-23-41(32-13-5-4-9-25(32)22-40(27)33)35(42)30-20-31(37)29(21-34(30)45-3)24-10-8-12-28(19-24)44-2/h4-15,17,19-21H,16,18,22-23H2,1-3H3