4-[(3-fluoranyl-4-methyl-phenyl)methyl]-5-methyl-pyrazol-3-one

Systemtic Name: 4-[(3-fluoranyl-4-methyl-phenyl)methyl]-5-methyl-pyrazol-3-one Openeye Name: 4-[(3-fluoro-4-methyl-phenyl)methyl]-5-methyl-pyrazol-3-one CAS Name: 4-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-3-pyrazolone IUPAC Name: 4-[(3-fluoro-4-methylphenyl)methyl]-5-methylpyrazol-3-one Traditional Name: 4-(3-fluoro-4-methyl-benzyl)-5-methyl-pyrazol-3-one Formula: C12H11FN2O MolecularWeight: 218.226943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(N=NC2=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(N=NC2=O)C)F

InChI

InChI=1S/C12H11FN2O/c1-7-3-4-9(6-11(7)13)5-10-8(2)14-15-12(10)16/h3-4,6H,5H2,1-2H3