2-(3-butylphenyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-(3-butylphenyl)-5-methyl-4H-pyrazol-3-one Openeye Name: 2-(3-butylphenyl)-5-methyl-4H-pyrazol-3-one CAS Name: 2-(3-butylphenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-(3-butylphenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: 2-(3-butylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-3-4-6-12-7-5-8-13(10-12)16-14(17)9-11(2)15-16/h5,7-8,10H,3-4,6,9H2,1-2H3