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

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-[3-(1-pyrrolidinyl)propyl]-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-keto-N-(3-pyrrolidinopropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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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)NCCCN5CCCC5)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)NCCCN5CCCC5)O

InChI

InChI=1S/C28H30N4O4/c1-36-26-17-19(7-10-25(26)33)18-5-8-21-23(15-18)30-22-9-6-20(16-24(22)31-28(21)35)27(34)29-11-4-14-32-12-2-3-13-32/h5-10,15-17,30,33H,2-4,11-14H2,1H3,(H,29,34)(H,31,35)