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

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C27H24F3N5O MolecularWeight: 491.50757

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24F3N5O/c28-27(29,30)20-6-3-7-21(15-20)34-11-13-35(14-12-34)25-16-23(22-8-1-2-9-24(22)33-25)26(36)32-18-19-5-4-10-31-17-19/h1-10,15-17H,11-14,18H2,(H,32,36)