CAS 898754-47-7

3-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile

Description:

3-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile, with the CAS number 898754-47-7, is a chemical compound characterized by its complex structure, which includes a benzoyl group and a benzonitrile moiety. The presence of the azetidine ring introduces a cyclic amine feature, contributing to its potential biological activity. This compound is typically classified as an organic molecule and may exhibit properties such as moderate solubility in organic solvents, depending on the specific functional groups present. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both aromatic and heterocyclic components. The compound's reactivity can be influenced by the electron-withdrawing nature of the nitrile group and the steric effects of the azetidine moiety. As with many organic compounds, its stability and reactivity can vary based on environmental conditions such as pH and temperature. Further studies would be necessary to fully elucidate its properties and potential applications in various fields, including drug development and materials science.

Formula: C₁₈H₁₆N₂O

InChI: InChI=1/C18H16N2O/c19-12-14-5-3-7-15(11-14)18(21)17-8-2-1-6-16(17)13-20-9-4-10-20/h1-3,5-8,11H,4,9-10,13H2

InChI key: InChIKey=GFNLRXHOCPIEPJ-UHFFFAOYSA-N

SMILES: C(C1=C(C(=O)C2=CC(C#N)=CC=C2)C=CC=C1)N3CCC3

Synonyms:

• Benzonitrile, 3-[2-(1-azetidinylmethyl)benzoyl]-
• 3-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile
• 3-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
• 2-AZETIDINOMETHYL-3'-CYANOBENZOPHENONE