2,5-dimethyl-4-phenyl-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-phenyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-phenyl-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-phenyl-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-phenyl-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-phenyl-3-pyrazolin-3-one Formula: C11H12N2O MolecularWeight: 188.22578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O/c1-8-10(11(14)13(2)12-8)9-6-4-3-5-7-9/h3-7,12H,1-2H3