N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-isobutyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-isobutyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C25H27F3N4O MolecularWeight: 456.50329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N4O/c1-17(2)16-29-24(33)21-15-23(30-22-9-4-3-8-20(21)22)32-12-10-31(11-13-32)19-7-5-6-18(14-19)25(26,27)28/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,29,33)