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CAS 898789-72-5

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Benzonitrile, 2-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-

Description:
Benzonitrile, 2-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]- is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a pyrrole derivative. The presence of the nitrile group (-C≡N) contributes to its polar nature, making it soluble in polar solvents. The compound features a benzoyl group, which enhances its reactivity and potential for forming various derivatives. The pyrrole ring adds to its aromatic character and can participate in various chemical reactions, including electrophilic substitutions. This compound may exhibit biological activity due to the presence of the pyrrole moiety, which is often found in biologically active molecules. Its molecular structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis. As with many organic compounds, safety and handling precautions should be observed, as the toxicity and environmental impact of the compound may vary based on its specific use and exposure levels.
Formula:C19H16N2O
InChI:InChI=1S/C19H16N2O/c20-13-17-7-1-2-9-18(17)19(22)16-8-5-6-15(12-16)14-21-10-3-4-11-21/h1-9,12H,10-11,14H2
InChI key:InChIKey=RUQRKAFIEVKELN-UHFFFAOYSA-N
SMILES:C(=O)(C1=C(C#N)C=CC=C1)C2=CC(CN3CC=CC3)=CC=C2
Synonyms:
  • 2-[3-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzonitrile
  • Benzonitrile, 2-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-
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