CAS 1341039-99-3

Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate

Description:

Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate, identified by its CAS number 1341039-99-3, is a synthetic organic compound characterized by its complex bicyclic structure, which includes a pyridoazepine core. This compound features multiple functional groups, including a chloro group and a cyano group, which contribute to its reactivity and potential biological activity. The presence of the carboxylate moiety suggests that it may participate in various chemical reactions, such as esterification or amidation. The phenylmethyl group enhances its lipophilicity, potentially influencing its pharmacokinetic properties. Due to its structural features, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. However, specific data regarding its solubility, stability, and biological activity would require empirical investigation. Overall, this compound represents a class of heterocyclic compounds that may have applications in drug development or as intermediates in organic synthesis.

Formula: C₁₈H₁₆ClN₃O₂

InChI: InChI=1S/C18H16ClN3O2/c19-17-16(9-20)15-7-4-8-22(11-14(15)10-21-17)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,10H,4,7-8,11-12H2

InChI key: InChIKey=ZKVDSPUYSDDKRW-UHFFFAOYSA-N

SMILES: C(#N)C1=C2C(CN(C(OCC3=CC=CC=C3)=O)CCC2)=CN=C1Cl

Synonyms:

• Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate
• 8H-Pyrido[3,4-c]azepine-8-carboxylic acid, 3-chloro-4-cyano-5,6,7,9-tetrahydro-, phenylmethyl ester