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

Systemtic Name: N-[1-(2-chloranyl-4,6-dimethyl-phenyl)-4-methyl-5-oxidanylidene-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-4-methyl-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[1-(2-chloro-4,6-dimethylphenyl)-4-methyl-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[1-(2-chloro-4,6-dimethylphenyl)-4-methyl-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-keto-4-methyl-2-pyrazolin-3-yl]-2-(3-pentadecylphenoxy)butyramide Formula: C37H54ClN3O3 MolecularWeight: 624.29596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C37H54ClN3O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-30-22-20-23-31(26-30)44-33(7-2)36(42)39-35-29(5)37(43)41(40-35)34-28(4)24-27(3)25-32(34)38/h20,22-26,29,33H,6-19,21H2,1-5H3,(H,39,40,42)