3,5,5-trimethyl-1-(1-methylpyrazol-4-yl)hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Openeye Name: 3,5,5-trimethyl-1-(1-methylpyrazol-4-yl)hexan-1-one CAS Name: 3,5,5-trimethyl-1-(1-methyl-4-pyrazolyl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Traditional Name: 3,5,5-trimethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Formula: C13H22N2O MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN(N=C1)C)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CN(N=C1)C)CC(C)(C)C

InChI

InChI=1S/C13H22N2O/c1-10(7-13(2,3)4)6-12(16)11-8-14-15(5)9-11/h8-10H,6-7H2,1-5H3