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CHEBI:125011 - 3-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125011
ChEBI Name3-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC26H25N3O
Net Charge0
Average Mass395.506
Monoisotopic Mass395.19976
SMILESCOc1ccccc1CN1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C26H25N3O/c1-30-25-8-3-2-6-22(25)15-29-16-23-26(24(17-29)28-23)20-11-9-19(10-12-20)21-7-4-5-18(13-21)14-27/h2-13,23-24,26,28H,15-17H2,1H3/t23-,24+,26?
InChIKeyQOVFPCHJGWGUIZ-MAOIWGCQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125011) is a biphenyls (CHEBI:22888)
3-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125011) is a nitrile (CHEBI:18379)
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