2-butanoyl-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexane-1,3-dione CAS Name: 5-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexane-1,3-quinone Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)CCN2C(=CC(=N2)C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)CCN2C(=CC(=N2)C)C

InChI

InChI=1S/C17H24N2O3/c1-4-5-14(20)17-15(21)9-13(10-16(17)22)6-7-19-12(3)8-11(2)18-19/h8,13,17H,4-7,9-10H2,1-3H3