CAS 898788-46-0

4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile

Description:

4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile, with the CAS number 898788-46-0, is a chemical compound characterized by its complex structure, which includes a benzoyl group and a benzonitrile moiety. This compound features a piperazine ring, which is a six-membered cyclic amine, substituted with a methyl group, enhancing its solubility and potential biological activity. The presence of the nitrile functional group (–C≡N) contributes to its reactivity and may influence its interactions in biological systems. Typically, compounds of this nature are investigated for their pharmacological properties, particularly in medicinal chemistry, where they may exhibit activity against specific biological targets. The molecular structure suggests potential applications in drug development, particularly in areas such as oncology or neurology, where piperazine derivatives are often explored for their therapeutic effects. As with many synthetic organic compounds, the physical properties such as solubility, melting point, and stability would depend on the specific conditions and environment in which the compound is studied.

Formula: C₂₀H₂₁N₃O

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

SMILES: CN1CCN(CC1)Cc1cccc(c1)C(=O)c1ccc(cc1)C#N