2-[(4-ethylphenyl)methyl]-3-methyl-1H-pyrazol-5-one

Systemtic Name: 2-[(4-ethylphenyl)methyl]-3-methyl-1H-pyrazol-5-one Openeye Name: 2-[(4-ethylphenyl)methyl]-3-methyl-1H-pyrazol-5-one CAS Name: 2-[(4-ethylphenyl)methyl]-3-methyl-1H-pyrazol-5-one IUPAC Name: 2-[(4-ethylphenyl)methyl]-3-methyl-1H-pyrazol-5-one Traditional Name: 1-(4-ethylbenzyl)-5-methyl-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC(=O)N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC(=O)N2)C

InChI

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