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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H31F3N4O/c29-28(30,31)21-9-6-10-22(17-21)34-13-15-35(16-14-34)26-18-24(23-11-4-5-12-25(23)33-26)27(36)32-19-20-7-2-1-3-8-20/h4-6,9-12,17-18,20H,1-3,7-8,13-16,19H2,(H,32,36)