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CHEBI:125124 - 4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125124
ChEBI Name4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC22H20N4O
Net Charge0
Average Mass356.429
Monoisotopic Mass356.16371
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(Cc5cocn5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C22H20N4O/c23-9-15-1-3-16(4-2-15)17-5-7-18(8-6-17)22-20-11-26(12-21(22)25-20)10-19-13-27-14-24-19/h1-8,13-14,20-22,25H,10-12H2/t20-,21+,22?
InChIKeyZIYBKRPCCDRZAD-CBQGHPETSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125124) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125124) is a nitrile (CHEBI:18379)
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