[8-(4-methylpiperazin-1-yl)-4-oxidanylidene-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid

Systemtic Name: [8-(4-methylpiperazin-1-yl)-4-oxidanylidene-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid Openeye Name: [8-(4-methylpiperazin-1-yl)-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid CAS Name: [8-(4-methyl-1-piperazinyl)-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [8-(4-methylpiperazin-1-yl)-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid Traditional Name: [4-keto-8-(4-methylpiperazino)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]methylphosphonic acid Formula: C16H18F3N6O4P MolecularWeight: 446.320891

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C4=NN=C(N34)CP(=O)(O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C4=NN=C(N34)CP(=O)(O)O

InChI

InChI=1S/C16H18F3N6O4P/c1-23-2-4-24(5-3-23)11-7-12-10(6-9(11)16(17,18)19)20-15(26)14-22-21-13(25(12)14)8-30(27,28)29/h6-7H,2-5,8H2,1H3,(H,20,26)(H2,27,28,29)