N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[3-(trifluoromethyl)anilino]ethyl]cinchoninamide Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3/c21-20(22,23)12-4-3-5-13(10-12)25-19(29)17(11-27)26-18(28)15-8-9-24-16-7-2-1-6-14(15)16/h1-10,17,27H,11H2,(H,25,29)(H,26,28)/t17-/m0/s1