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

Systemtic Name: N-[1-(2-chloranyl-4,6-dimethyl-phenyl)-5-oxidanylidene-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-keto-2-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=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=NN(C(=O)C2)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/h19,21-25,32H,5-18,20,26H2,1-4H3,(H,38,39,42)