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

Systemtic Name: 5-ethyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Openeye Name: 5-ethyl-2-(p-tolylmethyl)-4H-pyrazol-3-one CAS Name: 5-ethyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one IUPAC Name: 5-ethyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Traditional Name: 5-ethyl-2-(4-methylbenzyl)-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCC1=NN(C(=O)C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C13H16N2O/c1-3-12-8-13(16)15(14-12)9-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3