N-(3,3-diethoxypropyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: N-(3,3-diethoxypropyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-(3,3-diethoxypropyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-(3,3-diethoxypropyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-(3,3-diethoxypropyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-(3,3-diethoxypropyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2)OCC

Isomeric SMILES

CCOC(CCNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2)OCC

InChI

InChI=1S/C21H25N3O4/c1-3-27-19(28-4-2)11-12-22-20(25)14-9-10-17-18(13-14)24-21(26)15-7-5-6-8-16(15)23-17/h5-10,13,19,23H,3-4,11-12H2,1-2H3,(H,22,25)(H,24,26)