CAS 898783-51-2

Benzonitrile, 4-[4-[(4-methyl-1-piperazinyl)methyl]benzoyl]-

Description:

Benzonitrile, 4-[4-[(4-methyl-1-piperazinyl)methyl]benzoyl]- is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a piperazine group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in organic solvents. The presence of the piperazine ring suggests that it may have biological activity, as piperazine derivatives are often explored for pharmaceutical applications. The compound's molecular structure includes functional groups that can participate in various chemical reactions, making it a candidate for further synthetic modifications. Additionally, its molecular weight and specific physical properties, such as melting point and boiling point, would be influenced by the arrangement of its substituents. Overall, this compound is of interest in medicinal chemistry and may be studied for its potential therapeutic effects or as a building block in drug development.

Formula: C₂₀H₂₁N₃O

InChI: InChI=1S/C20H21N3O/c1-22-10-12-23(13-11-22)15-17-4-8-19(9-5-17)20(24)18-6-2-16(14-21)3-7-18/h2-9H,10-13,15H2,1H3

InChI key: InChIKey=GKZGSDNXFXCJTK-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC=C(CN2CCN(C)CC2)C=C1)C3=CC=C(C#N)C=C3

Synonyms:

• Benzonitrile, 4-[4-[(4-methyl-1-piperazinyl)methyl]benzoyl]-
• 4-Cyano-4′-(4-methylpiperazinomethyl) benzophenone