4-(quinoxalin-6-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(quinoxalin-6-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(quinoxalin-6-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(6-quinoxalinylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(quinoxalin-6-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(quinoxalin-6-ylmethyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H9F3N4O MolecularWeight: 294.23197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CN=C2C=C1CC3=C(NNC3=O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1CC3=C(NNC3=O)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c14-13(15,16)11-8(12(21)20-19-11)5-7-1-2-9-10(6-7)18-4-3-17-9/h1-4,6H,5H2,(H2,19,20,21)