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CAS 1352130-02-9

:

(4S,9E)-3,4,6,7,8,9-Hexahydro-9-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine

Description:
The chemical substance with the name "(4S,9E)-3,4,6,7,8,9-Hexahydro-9-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine" and CAS number "1352130-02-9" is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a pyrido[2,1-c][1,2,4]oxadiazine core, which contributes to its potential biological activity. The presence of trifluorophenyl and methoxy groups suggests that the compound may exhibit unique electronic properties and lipophilicity, which can influence its interaction with biological targets. Additionally, the imidazole moiety may enhance its pharmacological profile, potentially providing antimicrobial or antifungal properties. The stereochemistry indicated by the (4S,9E) configuration suggests specific spatial arrangements that could affect the compound's reactivity and binding affinity. Overall, this substance may be of interest in medicinal chemistry and drug development, particularly in the search for novel therapeutic agents.
Formula:C25H23F3N4O2
InChI:InChI=1S/C25H23F3N4O2/c1-15-12-31(14-29-15)21-6-5-16(9-23(21)33-2)8-17-4-3-7-32-22(13-34-30-25(17)32)18-10-19(26)24(28)20(27)11-18/h5-6,8-12,14,22H,3-4,7,13H2,1-2H3/b17-8+/t22-/m1/s1
InChI key:InChIKey=WGSSDSCDGURRHH-CRAILRFSSA-N
SMILES:C(=C\1/C=2N([C@H](CON2)C3=CC(F)=C(F)C(F)=C3)CCC1)\C4=CC(OC)=C(C=C4)N5C=C(C)N=C5
Synonyms:
  • Pyrido[2,1-c][1,2,4]oxadiazine, 3,4,6,7,8,9-hexahydro-9-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)-, (4S,9E)-
  • (4S,9E)-3,4,6,7,8,9-Hexahydro-9-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine
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