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CHEBI:126339 - 4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:126339
ChEBI Name4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC26H23N3O2
Net Charge0
Average Mass409.489
Monoisotopic Mass409.17903
SMILESN#Cc1ccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)cc1
InChIInChI=1S/C26H23N3O2/c27-12-17-1-4-19(5-2-17)20-6-8-21(9-7-20)26-22-13-28-14-23(26)29(22)15-18-3-10-24-25(11-18)31-16-30-24/h1-11,22-23,26,28H,13-16H2/t22-,23+,26?
InChIKeyKSLUSKGAVZKHEV-XZQOPNAISA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:126339) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:126339) is a nitrile (CHEBI:18379)
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