4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-one

Systemtic Name: 4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-one Openeye Name: 4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-one CAS Name: 4-[(4-ethylphenyl)methyl]-5-methyl-3-pyrazolone IUPAC Name: 4-[(4-ethylphenyl)methyl]-5-methylpyrazol-3-one Traditional Name: 4-(4-ethylbenzyl)-5-methyl-pyrazol-3-one Formula: C13H14N2O MolecularWeight: 214.26306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=NC2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=NC2=O)C

InChI

InChI=1S/C13H14N2O/c1-3-10-4-6-11(7-5-10)8-12-9(2)14-15-13(12)16/h4-7H,3,8H2,1-2H3