2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[1-(3,5-dimethylphenyl)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)N2C(=O)C=C(N2)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)N2C(=O)C=C(N2)C)C

InChI

InChI=1S/C14H18N2O/c1-9-5-10(2)7-13(6-9)12(4)16-14(17)8-11(3)15-16/h5-8,12,15H,1-4H3