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CHEBI:125094 - 4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125094
ChEBI Name4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC24H20N4O
Net Charge0
Average Mass380.451
Monoisotopic Mass380.16371
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(C(=O)c5ccncc5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C24H20N4O/c25-13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)23-21-14-28(15-22(23)27-21)24(29)20-9-11-26-12-10-20/h1-12,21-23,27H,14-15H2/t21-,22+,23?
InChIKeyGBKBADZVBSALHV-AIZNXBIQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125094) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125094) is a nitrile (CHEBI:18379)
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