1-(3,5-dimethylpyrazol-1-yl)octan-1-one

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)octan-1-one Openeye Name: 1-(3,5-dimethylpyrazol-1-yl)octan-1-one CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-1-octanone IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)octan-1-one Traditional Name: 1-(3,5-dimethylpyrazol-1-yl)octan-1-one Formula: C13H22N2O MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=CC(=N1)C)C

Isomeric SMILES

CCCCCCCC(=O)N1C(=CC(=N1)C)C

InChI

InChI=1S/C13H22N2O/c1-4-5-6-7-8-9-13(16)15-12(3)10-11(2)14-15/h10H,4-9H2,1-3H3