[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O3/c1-16-18-7-3-5-9-20(18)26-17(2)23(16)24(30)31-15-22(29)28-13-11-27(12-14-28)21-10-6-4-8-19(21)25/h3-10H,11-15H2,1-2H3