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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C29H26FN3O4 MolecularWeight: 499.532843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H26FN3O4/c1-36-23-12-6-20(7-13-23)27-18-25(24-4-2-3-5-26(24)31-27)29(35)37-19-28(34)33-16-14-32(15-17-33)22-10-8-21(30)9-11-22/h2-13,18H,14-17,19H2,1H3