3-heptyl-4,4-dimethyl-1H-pyrazol-5-one

Systemtic Name: 3-heptyl-4,4-dimethyl-1H-pyrazol-5-one Openeye Name: 3-heptyl-4,4-dimethyl-1H-pyrazol-5-one CAS Name: 3-heptyl-4,4-dimethyl-1H-pyrazol-5-one IUPAC Name: 3-heptyl-4,4-dimethyl-1H-pyrazol-5-one Traditional Name: 5-heptyl-4,4-dimethyl-2-pyrazolin-3-one Formula: C12H22N2O MolecularWeight: 210.31588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=O)C1(C)C

Isomeric SMILES

CCCCCCCC1=NNC(=O)C1(C)C

InChI

InChI=1S/C12H22N2O/c1-4-5-6-7-8-9-10-12(2,3)11(15)14-13-10/h4-9H2,1-3H3,(H,14,15)