5-methyl-4-(2-octylphenyl)pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-octylphenyl)pyrazol-3-one Openeye Name: 5-methyl-4-(2-octylphenyl)pyrazol-3-one CAS Name: 5-methyl-4-(2-octylphenyl)-3-pyrazolone IUPAC Name: 5-methyl-4-(2-octylphenyl)pyrazol-3-one Traditional Name: 5-methyl-4-(2-octylphenyl)pyrazol-3-one Formula: C18H24N2O MolecularWeight: 284.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=C(N=NC2=O)C

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=C(N=NC2=O)C

InChI

InChI=1S/C18H24N2O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14(2)19-20-18(17)21/h9-10,12-13H,3-8,11H2,1-2H3