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CAS 898757-61-4

:

3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile

Description:
3-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile, identified by its CAS number 898757-61-4, is a synthetic organic compound characterized by its complex molecular structure, which includes a spirocyclic moiety and multiple aromatic rings. The presence of a dioxane and azaspiro group suggests potential applications in medicinal chemistry, particularly in drug design, due to their ability to interact with biological targets. The compound features a benzoyl group and a benzonitrile moiety, which may contribute to its lipophilicity and ability to penetrate biological membranes. Its unique structural elements may also impart specific pharmacological properties, making it a candidate for further investigation in therapeutic contexts. The compound's stability, solubility, and reactivity would depend on its functional groups and overall molecular conformation. As with many synthetic compounds, understanding its characteristics requires comprehensive studies, including spectroscopic analysis and biological assays, to elucidate its potential applications and safety profile.
Formula:C22H22N2O3
InChI:InChI=1/C22H22N2O3/c23-15-18-2-1-3-20(14-18)21(25)19-6-4-17(5-7-19)16-24-10-8-22(9-11-24)26-12-13-27-22/h1-7,14H,8-13,16H2
SMILES:c1cc(cc(c1)C(=O)c1ccc(cc1)CN1CCC2(CC1)OCCO2)C#N
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