(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N4CCCCC4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N4CCCCC4

InChI

InChI=1S/C24H23ClN2O4/c1-26-22(24(30)31-15-20(28)27-13-5-2-6-14-27)21(16-9-11-17(25)12-10-16)18-7-3-4-8-19(18)23(26)29/h3-4,7-12H,2,5-6,13-15H2,1H3