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CHEBI:125117 - 3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125117
ChEBI Name3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)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#Cc1cccc(-c2ccc(C3[C@@H]4CN(C(=O)c5cccnc5)C[C@H]3N4)cc2)c1
InChIInChI=1S/C24H20N4O/c25-12-16-3-1-4-19(11-16)17-6-8-18(9-7-17)23-21-14-28(15-22(23)27-21)24(29)20-5-2-10-26-13-20/h1-11,13,21-23,27H,14-15H2/t21-,22+,23?
InChIKeyPBECPCXXXJDBFX-AIZNXBIQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125117) is a biphenyls (CHEBI:22888)
3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125117) is a nitrile (CHEBI:18379)
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