[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H24ClN3O3/c29-24-12-6-4-11-22(24)26-18-23(21-10-5-7-13-25(21)30-26)28(34)35-19-27(33)32-16-14-31(15-17-32)20-8-2-1-3-9-20/h1-13,18H,14-17,19H2