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

Systemtic Name: ethyl 4-[(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H24N4O4/c1-2-30-22(29)26-11-9-15(10-12-26)23-20(27)14-7-8-18-19(13-14)25-21(28)16-5-3-4-6-17(16)24-18/h3-8,13,15,24H,2,9-12H2,1H3,(H,23,27)(H,25,28)