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CAS 898757-64-7

:

Benzonitrile, 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-

Description:
Benzonitrile, 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]- is a complex organic compound characterized by its unique structure, which includes a benzonitrile moiety and a spirocyclic component. The presence of the nitrile group (-C≡N) indicates that it may exhibit polar characteristics, contributing to its solubility in polar solvents. The spirocyclic structure introduces rigidity and may influence the compound's reactivity and interaction with biological targets. This compound is likely to have applications in medicinal chemistry or material science due to its potential biological activity and structural complexity. Additionally, the presence of the dioxane ring suggests that it may participate in various chemical reactions, including nucleophilic substitutions or cycloadditions. As with many organic compounds, safety and handling precautions should be observed, as the compound may possess toxicological properties. Overall, the unique structural features of this compound make it a subject of interest for further research and application in various fields of chemistry.
Formula:C22H22N2O3
InChI:InChI=1S/C22H22N2O3/c23-15-17-1-5-19(6-2-17)21(25)20-7-3-18(4-8-20)16-24-11-9-22(10-12-24)26-13-14-27-22/h1-8H,9-14,16H2
InChI key:InChIKey=HFTYBRGEPJPIET-UHFFFAOYSA-N
SMILES:C(N1CCC2(CC1)OCCO2)C3=CC=C(C(=O)C4=CC=C(C#N)C=C4)C=C3
Synonyms:
  • Benzonitrile, 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-
  • 4-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile
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