(4E)-2-methyl-4-[(pyridin-3-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: (4E)-2-methyl-4-[(pyridin-3-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: (4E)-2-methyl-4-[(3-pyridylmethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: (4E)-2-methyl-4-[(3-pyridinylmethylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: (4E)-2-methyl-4-[(pyridin-3-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: (4E)-2-methyl-4-[(3-pyridylmethylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C12H11F3N4O MolecularWeight: 284.23715

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCC2=CN=CC=C2)C(=N1)C(F)(F)F

Isomeric SMILES

CN1C(=O)/C(=C/NCC2=CN=CC=C2)/C(=N1)C(F)(F)F

InChI

InChI=1S/C12H11F3N4O/c1-19-11(20)9(10(18-19)12(13,14)15)7-17-6-8-3-2-4-16-5-8/h2-5,7,17H,6H2,1H3/b9-7+