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CHEBI:125110 - 3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125110
ChEBI Name3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC18H17N3
Net Charge0
Average Mass275.355
Monoisotopic Mass275.14225
SMILESN#Cc1cccc(-c2ccc(C3[C@@H]4CNC[C@H]3N4)cc2)c1
InChIInChI=1S/C18H17N3/c19-9-12-2-1-3-15(8-12)13-4-6-14(7-5-13)18-16-10-20-11-17(18)21-16/h1-8,16-18,20-21H,10-11H2/t16-,17+,18?
InChIKeyXGQYEUDSRUYSTH-JWTNVVGKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125110) is a biphenyls (CHEBI:22888)
3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125110) is a nitrile (CHEBI:18379)
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