(4R)-2-hexyl-5-methyl-4-(phenylcarbonyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-hexyl-5-methyl-4-(phenylcarbonyl)-4H-pyrazol-3-one Openeye Name: (4R)-4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one CAS Name: (4R)-4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-benzoyl-2-hexyl-5-methyl-4H-pyrazol-3-one Traditional Name: (4R)-4-benzoyl-2-hexyl-5-methyl-2-pyrazolin-3-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCN1C(=O)[C@H](C(=N1)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2/c1-3-4-5-9-12-19-17(21)15(13(2)18-19)16(20)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12H2,1-2H3/t15-/m1/s1