5-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-(3-pyridylmethyl)-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one CAS Name: 5-(3-pyridinylmethyl)-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one Traditional Name: 5-(3-pyridylmethyl)-2-[4-(trifluoromethyl)phenyl]-2-pyrazolin-3-one Formula: C16H12F3N3O MolecularWeight: 319.28119

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CN=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CN=CC=C3

InChI

InChI=1S/C16H12F3N3O/c17-16(18,19)12-3-5-14(6-4-12)22-15(23)9-13(21-22)8-11-2-1-7-20-10-11/h1-7,10H,8-9H2