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

Systemtic Name: N-[1-(2-chloranyl-4,6-dimethyl-phenyl)-5-oxidanylidene-4H-pyrazol-3-yl]-N-[2-(3-pentadecylphenoxy)butyl]ethanamide Openeye Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4H-pyrazol-3-yl]-N-[2-(3-pentadecylphenoxy)butyl]acetamide CAS Name: N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-N-[2-(3-pentadecylphenoxy)butyl]acetamide IUPAC Name: N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-N-[2-(3-pentadecylphenoxy)butyl]acetamide Traditional Name: N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-keto-2-pyrazolin-3-yl]-N-[2-(3-pentadecylphenoxy)butyl]acetamide Formula: C38H56ClN3O3 MolecularWeight: 638.32254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CN(C2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CN(C2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C)C(=O)C

InChI

InChI=1S/C38H56ClN3O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-32-22-20-23-34(26-32)45-33(7-2)28-41(31(5)43)36-27-37(44)42(40-36)38-30(4)24-29(3)25-35(38)39/h20,22-26,33H,6-19,21,27-28H2,1-5H3