4-heptyl-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-heptyl-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-heptyl-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-heptyl-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-heptyl-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-heptyl-5-methyl-3-pyrazolin-3-one Formula: C11H20N2O MolecularWeight: 196.2893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NNC1=O)C

Isomeric SMILES

CCCCCCCC1=C(NNC1=O)C

InChI

InChI=1S/C11H20N2O/c1-3-4-5-6-7-8-10-9(2)12-13-11(10)14/h3-8H2,1-2H3,(H2,12,13,14)