N-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)octadecanamide

Systemtic Name: N-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)octadecanamide Openeye Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)octadecanamide CAS Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)octadecanamide IUPAC Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)octadecanamide Traditional Name: N-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)stearamide Formula: C28H45N3O2 MolecularWeight: 455.6758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C28H45N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(32)29-27-24(2)30-31(28(27)33)25-21-18-17-19-22-25/h17-19,21-22,27H,3-16,20,23H2,1-2H3,(H,29,32)