CAS 898783-49-8

2-[4-[(4-Methyl-1-piperazinyl)methyl]benzoyl]benzonitrile

Description:

2-[4-[(4-Methyl-1-piperazinyl)methyl]benzoyl]benzonitrile, with the CAS number 898783-49-8, is a chemical compound that belongs to the class of benzoyl derivatives. It features a complex structure characterized by the presence of a benzoyl group and a piperazine moiety, which is a six-membered ring containing two nitrogen atoms. This compound is typically recognized for its potential biological activity, particularly in medicinal chemistry, where it may exhibit properties relevant to pharmacological applications. The presence of the piperazine ring often contributes to the compound's ability to interact with biological targets, such as receptors or enzymes. Additionally, the nitrile functional group (–C≡N) can influence the compound's polarity and solubility, affecting its behavior in various chemical environments. Overall, this compound's unique structural features suggest it may have interesting applications in drug development or as a research tool in biochemistry. However, specific properties such as solubility, melting point, and biological activity would require empirical data for precise characterization.

Formula: C₂₀H₂₁N₃O

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

InChI key: InChIKey=MYZRALJOSSOKRX-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C#N)C=CC=C1)C2=CC=C(CN3CCN(C)CC3)C=C2

Synonyms:

• 2-[4-[(4-Methyl-1-piperazinyl)methyl]benzoyl]benzonitrile
• Benzonitrile, 2-[4-[(4-methyl-1-piperazinyl)methyl]benzoyl]-