2-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cinchoninamide Formula: C22H18F3N5O MolecularWeight: 425.40643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

InChI

InChI=1S/C22H18F3N5O/c1-13(2)18-10-16(15-5-3-4-6-17(15)28-18)21(31)29-19-9-14(22(23,24)25)7-8-20(19)30-12-26-11-27-30/h3-13H,1-2H3,(H,29,31)