[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl ester Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H22N2O3/c1-2-22(29-24(28)19-10-7-15-25-16-19)23(27)26-20-11-5-3-8-17(20)13-14-18-9-4-6-12-21(18)26/h3-12,15-16,22H,2,13-14H2,1H3