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CAS 898762-95-3

:

4-[2-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]benzoyl]benzonitrile

Description:
4-[2-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]benzoyl]benzonitrile, with the CAS number 898762-95-3, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoyl group and a benzonitrile moiety. This compound features a pyrrole derivative, indicating potential biological activity, as pyrrole rings are often found in various natural products and pharmaceuticals. The presence of the nitrile functional group suggests that it may exhibit polar characteristics, influencing its solubility and reactivity. Additionally, the compound's structure implies potential interactions with biological targets, making it of interest in medicinal chemistry. Its synthesis typically involves multi-step organic reactions, and it may be evaluated for its pharmacological properties, including anti-inflammatory or anticancer activities. As with many synthetic compounds, understanding its stability, reactivity, and potential toxicity is crucial for its application in research or therapeutic contexts. Overall, this compound exemplifies the intricate design often found in drug development and organic synthesis.
Formula:C19H16N2O
InChI:InChI=1S/C19H16N2O/c20-13-15-7-9-16(10-8-15)19(22)18-6-2-1-5-17(18)14-21-11-3-4-12-21/h1-10H,11-12,14H2
InChI key:InChIKey=YZGTUPOJCGBAAI-UHFFFAOYSA-N
SMILES:C(C1=C(C(=O)C2=CC=C(C#N)C=C2)C=CC=C1)N3CC=CC3
Synonyms:
  • Benzonitrile, 4-[2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-
  • 4-[2-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]benzoyl]benzonitrile
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