[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c23-17-6-2-7-18(14-17)25-10-12-26(13-11-25)20(27)15-29-22(28)19-8-1-4-16-5-3-9-24-21(16)19/h1-9,14H,10-13,15H2