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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=CC=N3

InChI

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