4,5-dimethyl-2-(phenylcarbonyl)-4H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-(phenylcarbonyl)-4H-pyrazol-3-one Openeye Name: 2-benzoyl-4,5-dimethyl-4H-pyrazol-3-one CAS Name: 2-benzoyl-4,5-dimethyl-4H-pyrazol-3-one IUPAC Name: 2-benzoyl-4,5-dimethyl-4H-pyrazol-3-one Traditional Name: 2-benzoyl-4,5-dimethyl-2-pyrazolin-3-one Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1C(=NN(C1=O)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C12H12N2O2/c1-8-9(2)13-14(11(8)15)12(16)10-6-4-3-5-7-10/h3-8H,1-2H3