(4R)-4-[(2S)-2-ethylheptanoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-[(2S)-2-ethylheptanoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-4-[(2S)-2-ethylheptanoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4R)-4-[(2S)-2-ethyl-1-oxoheptyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-[(2S)-2-ethylheptanoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-4-[(2S)-2-ethylheptanoyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-4-6-8-11-15(5-2)18(22)17-14(3)20-21(19(17)23)16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,4-6,8,11H2,1-3H3/t15-,17+/m0/s1