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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C28H24FN3O3 MolecularWeight: 469.506863

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C28H24FN3O3/c29-21-12-10-20(11-13-21)26-18-24(23-8-4-5-9-25(23)30-26)28(34)35-19-27(33)32-16-14-31(15-17-32)22-6-2-1-3-7-22/h1-13,18H,14-17,19H2