2-(4-dodecylphenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-dodecylphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(4-dodecylphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-dodecylphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(4-dodecylphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(4-laurylphenyl)-5-methyl-3-pyrazolin-3-one Formula: C22H34N2O MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)C=C(N2)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N2C(=O)C=C(N2)C

InChI

InChI=1S/C22H34N2O/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)24-22(25)18-19(2)23-24/h14-18,23H,3-13H2,1-2H3