5-methyl-4-(3-methylbutyl)-2-(2-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(3-methylbutyl)-2-(2-methylphenyl)-1H-pyrazol-3-one Openeye Name: 4-isopentyl-5-methyl-2-(o-tolyl)-1H-pyrazol-3-one CAS Name: 5-methyl-4-(3-methylbutyl)-2-(2-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(3-methylbutyl)-2-(2-methylphenyl)-1H-pyrazol-3-one Traditional Name: 4-isoamyl-5-methyl-2-(o-tolyl)-3-pyrazolin-3-one Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(N2)C)CCC(C)C

InChI

InChI=1S/C16H22N2O/c1-11(2)9-10-14-13(4)17-18(16(14)19)15-8-6-5-7-12(15)3/h5-8,11,17H,9-10H2,1-4H3