5-(2-methylbutanoyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-(2-methylbutanoyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-(2-methylbutanoyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-(2-methyl-1-oxobutyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-(2-methylbutanoyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-(2-methylbutanoyl)-2-phenyl-3-pyrazolin-3-one Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-3-10(2)14(18)12-9-13(17)16(15-12)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3