3-diazanyl-5-(2-diethoxyphosphorylethanoyl)-1-oxidanyl-6-(2-propan-2-ylimidazol-1-yl)-7-(trifluoromethyl)quinoxalin-2-one

Systemtic Name: 3-diazanyl-5-(2-diethoxyphosphorylethanoyl)-1-oxidanyl-6-(2-propan-2-ylimidazol-1-yl)-7-(trifluoromethyl)quinoxalin-2-one Openeye Name: 5-(2-diethoxyphosphorylacetyl)-3-hydrazino-1-hydroxy-6-(2-isopropylimidazol-1-yl)-7-(trifluoromethyl)quinoxalin-2-one CAS Name: 5-(2-diethoxyphosphoryl-1-oxoethyl)-3-hydrazinyl-1-hydroxy-6-(2-propan-2-yl-1-imidazolyl)-7-(trifluoromethyl)-2-quinoxalinone IUPAC Name: 5-(2-diethoxyphosphorylacetyl)-3-hydrazinyl-1-hydroxy-6-(2-propan-2-ylimidazol-1-yl)-7-(trifluoromethyl)quinoxalin-2-one Traditional Name: 5-(2-diethoxyphosphorylacetyl)-3-hydrazino-1-hydroxy-6-(2-isopropylimidazol-1-yl)-7-(trifluoromethyl)quinoxalin-2-one Formula: C21H26F3N6O6P MolecularWeight: 546.436711

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)C1=C(C(=CC2=C1N=C(C(=O)N2O)NN)C(F)(F)F)N3C=CN=C3C(C)C)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)C1=C(C(=CC2=C1N=C(C(=O)N2O)NN)C(F)(F)F)N3C=CN=C3C(C)C)OCC

InChI

InChI=1S/C21H26F3N6O6P/c1-5-35-37(34,36-6-2)10-14(31)15-16-13(30(33)20(32)18(27-16)28-25)9-12(21(22,23)24)17(15)29-8-7-26-19(29)11(3)4/h7-9,11,33H,5-6,10,25H2,1-4H3,(H,27,28)