4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxohexadecyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-hexadecanoyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C26H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(29)25-22(2)27-28(26(25)30)23-19-16-15-17-20-23/h15-17,19-20,25H,3-14,18,21H2,1-2H3