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

Systemtic Name: 5-methyl-2-octyl-4H-pyrazol-3-one Openeye Name: 5-methyl-2-octyl-4H-pyrazol-3-one CAS Name: 5-methyl-2-octyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-octyl-4H-pyrazol-3-one Traditional Name: 5-methyl-2-octyl-2-pyrazolin-3-one Formula: C12H22N2O MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=N1)C

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=N1)C

InChI

InChI=1S/C12H22N2O/c1-3-4-5-6-7-8-9-14-12(15)10-11(2)13-14/h3-10H2,1-2H3