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

Systemtic Name: (4E)-2-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: (4E)-2-phenyl-4-[(3-pyridylmethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: (4E)-2-phenyl-4-[(3-pyridinylmethylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: (4E)-2-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: (4E)-2-phenyl-4-[(3-pyridylmethylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H13F3N4O MolecularWeight: 346.30653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CNCC3=CN=CC=C3)C(=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/NCC3=CN=CC=C3)/C(=N2)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O/c18-17(19,20)15-14(11-22-10-12-5-4-8-21-9-12)16(25)24(23-15)13-6-2-1-3-7-13/h1-9,11,22H,10H2/b14-11+