3-methyl-2-[(4R)-2-oxidanylidenenonan-4-yl]-1H-pyrazol-5-one

Systemtic Name: 3-methyl-2-[(4R)-2-oxidanylidenenonan-4-yl]-1H-pyrazol-5-one Openeye Name: 2-[(1R)-1-acetonylhexyl]-3-methyl-1H-pyrazol-5-one CAS Name: 3-methyl-2-[(4R)-2-oxononan-4-yl]-1H-pyrazol-5-one IUPAC Name: 3-methyl-2-[(4R)-2-oxononan-4-yl]-1H-pyrazol-5-one Traditional Name: 1-[(1R)-1-acetonylhexyl]-5-methyl-3-pyrazolin-3-one Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](CC(=O)C)N1C(=CC(=O)N1)C

InChI

InChI=1S/C13H22N2O2/c1-4-5-6-7-12(9-11(3)16)15-10(2)8-13(17)14-15/h8,12H,4-7,9H2,1-3H3,(H,14,17)/t12-/m1/s1