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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29F3N4O/c1-18(2)10-11-30-25(34)22-17-24(31-23-9-4-3-8-21(22)23)33-14-12-32(13-15-33)20-7-5-6-19(16-20)26(27,28)29/h3-9,16-18H,10-15H2,1-2H3,(H,30,34)