CAS 1341039-87-9

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

Description:

Phenylmethyl 3-amino-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate, identified by its CAS number 1341039-87-9, is a chemical compound characterized by its complex bicyclic structure, which includes a pyridoazepine framework. This compound features multiple functional groups, including an amino group and a cyano group, contributing to its potential reactivity and biological activity. The presence of the carboxylate moiety suggests it may exhibit acidic properties, while the phenylmethyl group can enhance lipophilicity, potentially influencing its pharmacokinetic profile. The tetrahydro configuration indicates that the compound is saturated in certain regions, which may affect its conformational flexibility. Such structural characteristics often correlate with various biological activities, making this compound of interest in medicinal chemistry and drug development. However, specific properties such as solubility, melting point, and stability would require empirical data for precise characterization. Overall, this compound's unique structure positions it as a candidate for further investigation in pharmaceutical applications.

Formula: C₁₈H₁₈N₄O₂

InChI: InChI=1S/C18H18N4O2/c19-9-16-15-7-4-8-22(11-14(15)10-21-17(16)20)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,10H,4,7-8,11-12H2,(H2,20,21)

InChI key: InChIKey=CZZRDSMPKSGOLV-UHFFFAOYSA-N

SMILES: C(#N)C1=C2C(CN(C(OCC3=CC=CC=C3)=O)CCC2)=CN=C1N

Synonyms:

• Phenylmethyl 3-amino-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-amino-4-cyano-5,6,7,9-tetrahydro-, phenylmethyl ester