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

Systemtic Name: 2-[1-(4-butylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[1-(4-butylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[1-(4-butylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[1-(4-butylphenyl)ethyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[1-(4-butylphenyl)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C)N2C(=O)C=C(N2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C)N2C(=O)C=C(N2)C

InChI

InChI=1S/C16H22N2O/c1-4-5-6-14-7-9-15(10-8-14)13(3)18-16(19)11-12(2)17-18/h7-11,13,17H,4-6H2,1-3H3