4-octyl-5-phenyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-octyl-5-phenyl-1,2-dihydropyrazol-3-one Openeye Name: 4-octyl-5-phenyl-1,2-dihydropyrazol-3-one CAS Name: 4-octyl-5-phenyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-octyl-5-phenyl-1,2-dihydropyrazol-3-one Traditional Name: 4-octyl-5-phenyl-3-pyrazolin-3-one Formula: C17H24N2O MolecularWeight: 272.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NNC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(NNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O/c1-2-3-4-5-6-10-13-15-16(18-19-17(15)20)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H2,18,19,20)