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

Systemtic Name: 4-butyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Openeye Name: 4-butyl-5-methyl-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 4-butyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 4-butyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 4-butyl-5-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C15H20N2O/c1-4-5-6-14-12(3)16-17(15(14)18)13-9-7-11(2)8-10-13/h7-10,16H,4-6H2,1-3H3