2-propan-2-yl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]quinoline-4-carboxamide

Systemtic Name: 2-propan-2-yl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]quinoline-4-carboxamide CAS Name: N-[3-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: 2-propan-2-yl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]cinchoninamide Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)C(=O)NCC(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)C(=O)NCC(F)(F)F

InChI

InChI=1S/C22H20F3N3O2/c1-13(2)19-11-17(16-8-3-4-9-18(16)28-19)21(30)27-15-7-5-6-14(10-15)20(29)26-12-22(23,24)25/h3-11,13H,12H2,1-2H3,(H,26,29)(H,27,30)