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

Systemtic Name: 5-[5-chloranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]carbonyl-N-(pyridin-4-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-(4-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[5-chloro-2-methoxy-4-(3-methoxyphenyl)phenyl]-oxomethyl]-N-(pyridin-4-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-(pyridin-4-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[5-chloro-2-methoxy-4-(3-methoxyphenyl)benzoyl]-N-(4-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C34H29ClN4O4 MolecularWeight: 593.07146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=C(C=C2Cl)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CC=NC=C6)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=C(C=C2Cl)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CC=NC=C6)OC

InChI

InChI=1S/C34H29ClN4O4/c1-42-26-8-5-7-23(16-26)27-18-32(43-2)28(17-29(27)35)34(41)39-21-25-10-11-31(33(40)37-19-22-12-14-36-15-13-22)38(25)20-24-6-3-4-9-30(24)39/h3-18H,19-21H2,1-2H3,(H,37,40)