5-methyl-2-(2-octylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(2-octylphenyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(2-octylphenyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(2-octylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(2-octylphenyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(2-octylphenyl)-3-pyrazolin-3-one Formula: C18H26N2O MolecularWeight: 286.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1N2C(=O)C=C(N2)C

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1N2C(=O)C=C(N2)C

InChI

InChI=1S/C18H26N2O/c1-3-4-5-6-7-8-11-16-12-9-10-13-17(16)20-18(21)14-15(2)19-20/h9-10,12-14,19H,3-8,11H2,1-2H3