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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[[4-(trifluoromethyl)benzyl]amino]ethyl]quinoxaline-2-carboxamide Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N4O3/c21-20(22,23)13-7-5-12(6-8-13)9-25-18(29)17(11-28)27-19(30)16-10-24-14-3-1-2-4-15(14)26-16/h1-8,10,17,28H,9,11H2,(H,25,29)(H,27,30)/t17-/m0/s1