[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic acid 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl ester Formula: C24H22N2O3 MolecularWeight: 386.44308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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