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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[[4-(trifluoromethyl)benzyl]amino]ethyl]cinchoninamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c22-21(23,24)14-7-5-13(6-8-14)11-26-20(30)18(12-28)27-19(29)16-9-10-25-17-4-2-1-3-15(16)17/h1-10,18,28H,11-12H2,(H,26,30)(H,27,29)/t18-/m0/s1