5-methyl-4-octadecanoyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-octadecanoyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-octadecanoyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxooctadecyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-octadecanoyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-stearoyl-3-pyrazolin-3-one Formula: C28H44N2O2 MolecularWeight: 440.66116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C28H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27-24(2)29-30(28(27)32)25-21-18-17-19-22-25/h17-19,21-22,29H,3-16,20,23H2,1-2H3