ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H21F4N3O2 MolecularWeight: 447.425353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1N3CCN(CC3)C4=CC=C(C=C4)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1N3CCN(CC3)C4=CC=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C23H21F4N3O2/c1-2-32-22(31)19-14-28-20-13-15(23(25,26)27)3-8-18(20)21(19)30-11-9-29(10-12-30)17-6-4-16(24)5-7-17/h3-8,13-14H,2,9-12H2,1H3