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

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H18N2O3/c25-21(15-27-22(26)18-11-13-23-14-12-18)24-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)24/h1-8,11-14H,9-10,15H2