5-methyl-2-octanoyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-octanoyl-4H-pyrazol-3-one Openeye Name: 5-methyl-2-octanoyl-4H-pyrazol-3-one CAS Name: 5-methyl-2-(1-oxooctyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-octanoyl-4H-pyrazol-3-one Traditional Name: 2-caprylyl-5-methyl-2-pyrazolin-3-one Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O2/c1-3-4-5-6-7-8-11(15)14-12(16)9-10(2)13-14/h3-9H2,1-2H3