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

Systemtic Name: N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C28H31F3N4O MolecularWeight: 496.56715

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H31F3N4O/c1-19-9-11-21(12-10-19)32-27(36)24-18-26(33-25-8-3-2-7-23(24)25)35-15-13-34(14-16-35)22-6-4-5-20(17-22)28(29,30)31/h2-8,17-19,21H,9-16H2,1H3,(H,32,36)