ethyl 1-[(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)isonipecotic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N3O4/c1-2-29-22(28)14-9-11-25(12-10-14)21(27)15-7-8-18-19(13-15)24-20(26)16-5-3-4-6-17(16)23-18/h3-8,13-14,23H,2,9-12H2,1H3,(H,24,26)