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CAS 898757-58-9

:

2-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile

Description:
2-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile, with the CAS number 898757-58-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a spirocyclic moiety and multiple aromatic rings. The presence of the dioxane and azaspiro groups suggests potential for unique chemical reactivity and biological activity, possibly making it of interest in medicinal chemistry or material science. The compound features a benzoyl group and a benzonitrile moiety, indicating it may exhibit properties typical of aromatic compounds, such as stability and potential for π-π interactions. Its solubility and reactivity would depend on the specific functional groups present, influencing its applications in various chemical contexts. Additionally, the presence of nitrogen and oxygen in the structure may contribute to hydrogen bonding capabilities, affecting its physical properties and interactions with biological systems. Overall, this compound's intricate structure suggests it could be a candidate for further research in drug development or as a specialized chemical intermediate.
Formula:C22H22N2O3
InChI:InChI=1S/C22H22N2O3/c23-15-19-3-1-2-4-20(19)21(25)18-7-5-17(6-8-18)16-24-11-9-22(10-12-24)26-13-14-27-22/h1-8H,9-14,16H2
InChI key:InChIKey=CPNMETFLBSWDJY-UHFFFAOYSA-N
SMILES:C(N1CCC2(CC1)OCCO2)C3=CC=C(C(=O)C4=C(C#N)C=CC=C4)C=C3
Synonyms:
  • Benzonitrile, 2-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-
  • 2-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile
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