5-methyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(p-tolylmethyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Traditional Name: 5-methyl-2-(4-methylbenzyl)-2-pyrazolin-3-one Formula: C12H14N2O MolecularWeight: 202.25236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)CC2=CC=C(C=C2)C

Isomeric SMILES

CC1=NN(C(=O)C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)8-14-12(15)7-10(2)13-14/h3-6H,7-8H2,1-2H3