CAS 1316218-46-8

1-[4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1H-azepin-1-yl]ethanone

Description:

1-[4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1H-azepin-1-yl]ethanone, with the CAS number 1316218-46-8, is a chemical compound characterized by its complex structure, which includes a hexahydro-1H-azepine ring and a pyrazine moiety. This compound features a chloro substituent on the pyrazine ring, contributing to its potential biological activity. The presence of the ethanone functional group indicates that it may exhibit ketone-like reactivity, which can influence its interactions in chemical reactions or biological systems. The hexahydro-1H-azepine structure suggests that it may possess certain steric and electronic properties that could affect its solubility, stability, and reactivity. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties. The specific characteristics, such as melting point, boiling point, and solubility, would typically be determined through experimental methods and may vary based on the conditions under which they are measured. Overall, this compound's unique structural features make it a candidate for further investigation in various chemical and biological applications.

Formula: C₁₃H₁₈ClN₃O

InChI: InChI=1S/C13H18ClN3O/c1-10(18)17-7-2-3-11(4-8-17)9-12-13(14)16-6-5-15-12/h5-6,11H,2-4,7-9H2,1H3

InChI key: InChIKey=FAMOJTRMHIHCIH-UHFFFAOYSA-N

SMILES: C(C=1C(Cl)=NC=CN1)C2CCN(C(C)=O)CCC2

Synonyms:

• Ethanone, 1-[4-[(3-chloro-2-pyrazinyl)methyl]hexahydro-1H-azepin-1-yl]-
• 1-[4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1H-azepin-1-yl]ethanone