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CAS 17012-30-5

:

2,3,5,6,7,8-Hexahydro-1-methyl-3-oxo-4-isoquinolinecarbonitrile

Description:
2,3,5,6,7,8-Hexahydro-1-methyl-3-oxo-4-isoquinolinecarbonitrile, with the CAS number 17012-30-5, is a chemical compound characterized by its complex bicyclic structure, which includes a hexahydroisoquinoline framework. This compound features a carbonitrile functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of a ketone group (3-oxo) indicates that it may participate in various chemical reactions, such as nucleophilic additions or condensation reactions. The methyl group at the nitrogen position enhances its lipophilicity, potentially influencing its biological activity. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its structural features suggest potential interactions with biological targets, although specific biological activities would require further investigation. Overall, 2,3,5,6,7,8-Hexahydro-1-methyl-3-oxo-4-isoquinolinecarbonitrile represents a unique scaffold for the development of novel therapeutic agents.
Formula:C11H12N2O
InChI:InChI=1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)
InChI key:InChIKey=UELWLLSJFNZKKZ-UHFFFAOYSA-N
SMILES:C(#N)C1=C2C(=C(C)NC1=O)CCCC2
Synonyms:
  • 1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
  • 2,3,5,6,7,8-Hexahydro-1-methyl-3-oxo-4-isoquinolinecarbonitrile
  • 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-
  • 1-Methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
  • 1-Methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
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