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

Systemtic Name: N-(4-methylpentan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(1,3-dimethylbutyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(4-methylpentan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(4-methylpentan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(1,3-dimethylbutyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C27H31F3N4O MolecularWeight: 484.55645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31F3N4O/c1-18(2)15-19(3)31-26(35)23-17-25(32-24-10-5-4-9-22(23)24)34-13-11-33(12-14-34)21-8-6-7-20(16-21)27(28,29)30/h4-10,16-19H,11-15H2,1-3H3,(H,31,35)