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

Systemtic Name: N-(4-chloranyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)octadecanamide Openeye Name: N-(4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl)octadecanamide CAS Name: N-(4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl)octadecanamide IUPAC Name: N-(4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl)octadecanamide Traditional Name: N-(4-chloro-5-keto-1-phenyl-2-pyrazolin-3-yl)stearamide Formula: C27H42ClN3O2 MolecularWeight: 476.09428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1Cl)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1Cl)C2=CC=CC=C2

InChI

InChI=1S/C27H42ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(32)29-26-25(28)27(33)31(30-26)23-20-17-16-18-21-23/h16-18,20-21,25H,2-15,19,22H2,1H3,(H,29,30,32)