CAS 1020722-11-5

β-Oxo-5-(phenylmethoxy)-1H-indole-3-propanenitrile

Description:

β-Oxo-5-(phenylmethoxy)-1H-indole-3-propanenitrile, identified by its CAS number 1020722-11-5, is a synthetic organic compound that features a complex structure characteristic of indole derivatives. This compound typically exhibits a β-oxo group, which contributes to its reactivity and potential biological activity. The presence of a phenylmethoxy group enhances its lipophilicity, potentially influencing its solubility and interaction with biological membranes. The propanenitrile moiety introduces a nitrile functional group, which can participate in various chemical reactions, including nucleophilic additions. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory or anticancer activities. The indole core is known for its presence in many natural products and pharmaceuticals, making derivatives like this one valuable in drug discovery and development. Overall, the unique combination of functional groups in β-Oxo-5-(phenylmethoxy)-1H-indole-3-propanenitrile suggests a versatile compound with potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₈H₁₄N₂O₂

InChI: InChI=1S/C18H14N2O2/c19-9-8-18(21)16-11-20-17-7-6-14(10-15(16)17)22-12-13-4-2-1-3-5-13/h1-7,10-11,20H,8,12H2

InChI key: InChIKey=ZRJOVAIMCRQQNJ-UHFFFAOYSA-N

SMILES: C(CC#N)(=O)C=1C=2C(NC1)=CC=C(OCC3=CC=CC=C3)C2

Synonyms:

• β-Oxo-5-(phenylmethoxy)-1H-indole-3-propanenitrile
• 1H-Indole-3-propanenitrile, β-oxo-5-(phenylmethoxy)-