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CAS 898761-50-7

:

3-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile

Description:
3-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile, with the CAS number 898761-50-7, is a synthetic organic compound characterized by its complex structure, which includes a spirocyclic moiety and multiple aromatic rings. The presence of the dioxane and azaspiro groups suggests potential applications in medicinal chemistry, particularly in drug design, due to their ability to influence biological activity and solubility. The compound features a benzoyl group and a benzonitrile moiety, which may contribute to its electronic properties and reactivity. Its molecular structure indicates potential for interactions with biological targets, making it of interest in pharmacological studies. Additionally, the presence of the nitrile functional group may enhance lipophilicity and facilitate membrane permeability. Overall, this compound exemplifies the complexity often found in drug-like molecules, combining various functional groups that can affect its pharmacokinetics and pharmacodynamics. Further studies would be necessary to elucidate its specific biological activities and potential therapeutic applications.
Formula:C22H22N2O3
InChI:InChI=1S/C22H22N2O3/c23-15-17-3-1-5-19(13-17)21(25)20-6-2-4-18(14-20)16-24-9-7-22(8-10-24)26-11-12-27-22/h1-6,13-14H,7-12,16H2
InChI key:InChIKey=RCSQYHHWPCHNRA-UHFFFAOYSA-N
SMILES:C(N1CCC2(CC1)OCCO2)C3=CC(C(=O)C4=CC(C#N)=CC=C4)=CC=C3
Synonyms:
  • Benzonitrile, 3-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-
  • 3-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile
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