[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-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] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H19ClN2O3 MolecularWeight: 406.86156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O3/c1-15(29-23(28)18-9-6-14-25-21(18)24)22(27)26-19-10-4-2-7-16(19)12-13-17-8-3-5-11-20(17)26/h2-11,14-15H,12-13H2,1H3