9-(2-methoxypyridin-4-yl)-6-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 9-(2-methoxypyridin-4-yl)-6-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: 9-(2-methoxy-4-pyridyl)-6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: 9-(2-methoxy-4-pyridinyl)-6-oxo-N-[3-(1-pyrrolidinyl)propyl]-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: 9-(2-methoxypyridin-4-yl)-6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 6-keto-9-(2-methoxy-4-pyridyl)-N-(3-pyrrolidinopropyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-35-25-17-19(9-11-28-25)18-5-7-21-23(15-18)30-22-8-6-20(16-24(22)31-27(21)34)26(33)29-10-4-14-32-12-2-3-13-32/h5-9,11,15-17,30H,2-4,10,12-14H2,1H3,(H,29,33)(H,31,34)