9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-N-(pyridin-2-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-N-(pyridin-2-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-N-(2-pyridylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-(2-pyridinylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-keto-N-(2-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=CC=CC=N5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)NCC5=CC=CC=N5)O

InChI

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