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Substance Name: 3,4,8-Triazatetracyclo(4.3.1.02,5.07,9)dec-3-ene, 8-(4-chlorophenyl)-, (1R,2R,5S,6S,7R,9S)-rel-
RN: 77788-93-3
InChIKey: DVNDPJKMRKKREP-LABIGCKUSA-N

Molecular Weight

  • 245.712
 
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Names and Synonyms

  • 3,4,8-Triazatetracyclo(4.3.1.02,5.07,9)dec-3-ene, 8-(4-chlorophenyl)-, (1R,2R,5S,6S,7R,9S)-rel-

Registry Numbers

CAS Registry Number

  • 77788-93-3

System Generated Number

  • 0077788933

Structure Descriptors

InChI

1S/C13H12ClN3/c14-6-1-3-7(4-2-6)17-12-8-5-9(13(12)17)11-10(8)15-16-11/h1-4,8-13H,5H2/t8-,9+,10+,11-,12?,13?,17-

InChIKey

DVNDPJKMRKKREP-LABIGCKUSA-N

Smiles

c1cc(Cl)ccc1[N@@]1[C@@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2[C@@H]1N=N2