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

Systemtic Name: N-(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C24H22F3N5O MolecularWeight: 453.45959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC#N

InChI

InChI=1S/C24H22F3N5O/c25-24(26,27)17-5-3-6-18(15-17)31-11-13-32(14-12-31)22-16-20(23(33)29-10-4-9-28)19-7-1-2-8-21(19)30-22/h1-3,5-8,15-16H,4,10-14H2,(H,29,33)