4-butanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-butanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-butanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxobutyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-butanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-butyryl-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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