CHEBI:125052 - 4-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

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ChEBI Name 4-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125052
Stars This entity has been manually annotated by a third party.
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Formula C26H23N3O
Net Charge 0
Average Mass 393.481
Monoisotopic Mass 393.18411
InChI InChI=1S/C26H23N3O/c27-15-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26-23-16-29(17-24(26)28-23)25(30)14-18-4-2-1-3-5-18/h1-13,23-24,26,28H,14,16-17H2/t23-,24+,26?
InChIKey QYMIRNCPMKEYAE-MAOIWGCQSA-N
SMILES C1[C@@H]2C([C@@H](N2)CN1C(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N
ChEBI Ontology
Outgoing 4-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125052) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125052) is a nitrile (CHEBI:18379)
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