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

Systemtic Name: N-(phenylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-benzyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(phenylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-benzyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-benzyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C28H25F3N4O MolecularWeight: 490.51951

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H25F3N4O/c29-28(30,31)21-9-6-10-22(17-21)34-13-15-35(16-14-34)26-18-24(23-11-4-5-12-25(23)33-26)27(36)32-19-20-7-2-1-3-8-20/h1-12,17-18H,13-16,19H2,(H,32,36)