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CAS 198480-21-6

:

1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

Description:
The chemical substance known as 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole, with the CAS number 198480-21-6, is a complex organic compound characterized by its multi-ring structure and various functional groups. It features an indole core, which is a bicyclic structure known for its presence in many biologically active compounds. The presence of azepane, a seven-membered nitrogen-containing ring, suggests potential interactions with biological systems, possibly influencing its pharmacological properties. The compound also contains multiple benzyloxy groups, which can enhance lipophilicity and affect solubility and permeability. Its ethoxy linkage indicates the presence of an ether functional group, contributing to its overall reactivity and stability. Due to its intricate structure, this compound may exhibit unique chemical properties and biological activities, making it of interest in medicinal chemistry and drug development. However, specific data regarding its solubility, melting point, or biological activity would require further investigation or experimental analysis.
Formula:C44H46N2O3
InChI:InChI=1S/C44H46N2O3/c1-34-42-30-41(49-33-37-14-8-5-9-15-37)24-25-43(42)46(44(34)38-18-22-40(23-19-38)48-32-36-12-6-4-7-13-36)31-35-16-20-39(21-17-35)47-29-28-45-26-10-2-3-11-27-45/h4-9,12-25,30H,2-3,10-11,26-29,31-33H2,1H3
InChI key:InChIKey=NXAHBBRIVLXMQA-UHFFFAOYSA-N
SMILES:C(N1C(=C(C)C=2C1=CC=C(OCC3=CC=CC=C3)C2)C4=CC=C(OCC5=CC=CC=C5)C=C4)C6=CC=C(OCCN7CCCCCC7)C=C6
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