(4R)-4-hexanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-hexanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-4-hexanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-4-(1-oxohexyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-hexanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-4-caproyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(=O)[C@H]1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2O2/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,15H,3-4,6,11H2,1-2H3/t15-/m1/s1