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

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] pyridine-3-carboxylate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCOC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H20N2O3/c26-22(13-15-28-23(27)19-8-5-14-24-16-19)25-20-9-3-1-6-17(20)11-12-18-7-2-4-10-21(18)25/h1-10,14,16H,11-13,15H2