N-(5-fluoranyl-2-methyl-phenyl)-4-[2-(trifluoromethyl)quinolin-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-4-[2-(trifluoromethyl)quinolin-5-yl]piperazine-1-carboxamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-4-[2-(trifluoromethyl)-5-quinolyl]piperazine-1-carboxamide CAS Name: N-(5-fluoro-2-methylphenyl)-4-[2-(trifluoromethyl)-5-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-4-[2-(trifluoromethyl)quinolin-5-yl]piperazine-1-carboxamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-4-[2-(trifluoromethyl)-5-quinolyl]piperazine-1-carboxamide Formula: C22H20F4N4O MolecularWeight: 432.414013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CC(=N4)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CC(=N4)C(F)(F)F

InChI

InChI=1S/C22H20F4N4O/c1-14-5-6-15(23)13-18(14)28-21(31)30-11-9-29(10-12-30)19-4-2-3-17-16(19)7-8-20(27-17)22(24,25)26/h2-8,13H,9-12H2,1H3,(H,28,31)