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CHEBI:125069 - 3-[4-[(1R,5S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125069
ChEBI Name3-[4-[(1R,5S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC26H21N3O3
Net Charge0
Average Mass423.472
Monoisotopic Mass423.15829
SMILESN#Cc1cccc(-c2ccc(C3[C@@H]4CN(C(=O)c5ccc6c(c5)OCO6)C[C@H]3N4)cc2)c1
InChIInChI=1S/C26H21N3O3/c27-12-16-2-1-3-19(10-16)17-4-6-18(7-5-17)25-21-13-29(14-22(25)28-21)26(30)20-8-9-23-24(11-20)32-15-31-23/h1-11,21-22,25,28H,13-15H2/t21-,22+,25?
InChIKeyOYYJXKYOUHORTN-OFFJZUQKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1R,5S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125069) is a biphenyls (CHEBI:22888)
3-[4-[(1R,5S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125069) is a nitrile (CHEBI:18379)
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