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

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-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] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl ester Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3/c1-2-21(30-24(29)18-13-14-26-22(25)15-18)23(28)27-19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)27/h3-10,13-15,21H,2,11-12H2,1H3