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

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ChEBI Name 3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125117
Stars This entity has been manually annotated by a third party.
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Formula C24H20N4O
Net Charge 0
Average Mass 380.443
Monoisotopic Mass 380.16371
InChI InChI=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?
InChIKey PBECPCXXXJDBFX-AIZNXBIQSA-N
SMILES C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing 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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