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

Systemtic Name: 2-octanoyl-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-octanoyl-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1-oxooctyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-octanoyl-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-caprylyl-5-phenyl-2-pyrazolin-3-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=O)CC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1C(=O)CC(=N1)C2=CC=CC=C2

InChI

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