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

Systemtic Name: 5-[4-[2-(1-hydroxyethyl)phenyl]phenyl]carbonyl-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[4-[2-(1-hydroxyethyl)phenyl]benzoyl]-N-(3-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[4-[2-(1-hydroxyethyl)phenyl]phenyl]-oxomethyl]-N-(3-pyridinylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[4-[2-(1-hydroxyethyl)phenyl]benzoyl]-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[4-[2-(1-hydroxyethyl)phenyl]benzoyl]-N-(3-pyridylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C34H30N4O3 MolecularWeight: 542.627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CN=CC=C6)O

Isomeric SMILES

CC(C1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CN=CC=C6)O

InChI

InChI=1S/C34H30N4O3/c1-23(39)29-9-3-4-10-30(29)25-12-14-26(15-13-25)34(41)38-22-28-16-17-32(33(40)36-20-24-7-6-18-35-19-24)37(28)21-27-8-2-5-11-31(27)38/h2-19,23,39H,20-22H2,1H3,(H,36,40)