3-methyl-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one

Systemtic Name: 3-methyl-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one Openeye Name: 3-methyl-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylene]-1H-pyrazol-5-one CAS Name: 3-methyl-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one IUPAC Name: 3-methyl-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one Traditional Name: 5-methyl-4-[[[3-(trifluoromethyl)benzyl]amino]methylene]-2-pyrazolin-3-one Formula: C13H12F3N3O MolecularWeight: 283.24909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1=CNCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=NNC(=O)C1=CNCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O/c1-8-11(12(20)19-18-8)7-17-6-9-3-2-4-10(5-9)13(14,15)16/h2-5,7,17H,6H2,1H3,(H,19,20)