5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxooctyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-caprylyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-3-4-5-6-10-13-16(21)17-14(2)19-20(18(17)22)15-11-8-7-9-12-15/h7-9,11-12,17H,3-6,10,13H2,1-2H3