2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[5-methyl-3-oxo-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzyl-5-keto-3-methyl-3-pyrazolin-1-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C16H13F3N4O2 MolecularWeight: 350.29523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=O)C=C(N2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C16H13F3N4O2/c1-9-11(7-10-5-3-2-4-6-10)14(25)23(22-9)15-20-12(16(17,18)19)8-13(24)21-15/h2-6,8,22H,7H2,1H3,(H,20,21,24)