[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H18ClN3O3/c19-15-5-1-2-6-16(15)21-8-10-22(11-9-21)17(23)13-25-18(24)14-4-3-7-20-12-14/h1-7,12H,8-11,13H2