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

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3/c1-16(28-23(27)19-12-14-24-15-13-19)22(26)25-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)25/h2-9,12-16H,10-11H2,1H3