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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(C)(C)C

InChI

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