9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-N-(pyridin-3-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-N-(pyridin-3-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-N-(3-pyridylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-(3-pyridinylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-(pyridin-3-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-keto-N-(3-pyridylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)NCC5=CN=CC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)NCC5=CN=CC=C5)O

InChI

InChI=1S/C27H22N4O4/c1-35-25-13-18(6-9-24(25)32)17-4-7-20-22(11-17)30-21-8-5-19(12-23(21)31-27(20)34)26(33)29-15-16-3-2-10-28-14-16/h2-14,30,32H,15H2,1H3,(H,29,33)(H,31,34)