[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C27H23N3O3/c1-2-24(33-27(32)20-10-7-11-21-25(20)29-17-16-28-21)26(31)30-22-12-5-3-8-18(22)14-15-19-9-4-6-13-23(19)30/h3-13,16-17,24H,2,14-15H2,1H3