N-[2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[2-(2-chloro-4,6-dimethyl-phenyl)-3-oxo-1H-pyrazol-5-yl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[2-(2-chloro-4,6-dimethylphenyl)-3-oxo-1H-pyrazol-5-yl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[2-(2-chloro-4,6-dimethylphenyl)-3-oxo-1H-pyrazol-5-yl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-keto-3-pyrazolin-3-yl]-2-(3-pentadecylphenoxy)butyramide Formula: C36H52ClN3O3 MolecularWeight: 610.26938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=O)N(N2)C3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=O)N(N2)C3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C36H52ClN3O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21-19-22-30(25-29)43-32(6-2)36(42)38-33-26-34(41)40(39-33)35-28(4)23-27(3)24-31(35)37/h19,21-26,32,39H,5-18,20H2,1-4H3,(H,38,42)