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

Systemtic Name: (4R)-2-hexyl-5-methyl-4-(4-methylphenyl)carbonyl-4H-pyrazol-3-one Openeye Name: (4R)-2-hexyl-5-methyl-4-(4-methylbenzoyl)-4H-pyrazol-3-one CAS Name: (4R)-2-hexyl-5-methyl-4-[(4-methylphenyl)-oxomethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-2-hexyl-5-methyl-4-(4-methylbenzoyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-hexyl-5-methyl-4-p-toluoyl-2-pyrazolin-3-one Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-4-5-6-7-12-20-18(22)16(14(3)19-20)17(21)15-10-8-13(2)9-11-15/h8-11,16H,4-7,12H2,1-3H3/t16-/m1/s1