2-(3,4-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-isopropyl-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-isopropyl-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C(C)C)C

InChI

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