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

Systemtic Name: N-methyl-N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-isobutyl-N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-methyl-N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-methyl-N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-isobutyl-N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C26H29F3N4O MolecularWeight: 470.52987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29F3N4O/c1-18(2)17-31(3)25(34)22-16-24(30-23-10-5-4-9-21(22)23)33-13-11-32(12-14-33)20-8-6-7-19(15-20)26(27,28)29/h4-10,15-16,18H,11-14,17H2,1-3H3