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

Systemtic Name: N-(2-hydroxyethyl)-9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-(2-hydroxyethyl)-9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-(2-hydroxyethyl)-9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-(2-hydroxyethyl)-9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-(2-hydroxyethyl)-9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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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)NCCO)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-31-21-12-14(4-7-20(21)28)13-2-5-16-18(10-13)25-17-6-3-15(22(29)24-8-9-27)11-19(17)26-23(16)30/h2-7,10-12,25,27-28H,8-9H2,1H3,(H,24,29)(H,26,30)