N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]amino]quinoline-4-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]amino]quinoline-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-2-[3-(trifluoromethyl)anilino]-4-quinolinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-2-[3-(trifluoromethyl)anilino]cinchoninamide Formula: C23H17F3N4O MolecularWeight: 422.40249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H17F3N4O/c24-23(25,26)16-6-3-7-17(11-16)29-21-12-19(18-8-1-2-9-20(18)30-21)22(31)28-14-15-5-4-10-27-13-15/h1-13H,14H2,(H,28,31)(H,29,30)