2-(3,5-dimethylphenyl)-5-propyl-4H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C14H18N2O/c1-4-5-12-9-14(17)16(15-12)13-7-10(2)6-11(3)8-13/h6-8H,4-5,9H2,1-3H3