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CHEBI:125085 - 4-[4-[(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125085
ChEBI Name4-[4-[(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC27H27N3O2
Net Charge0
Average Mass425.532
Monoisotopic Mass425.21033
SMILESCOc1cc(CN2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1
InChIInChI=1S/C27H27N3O2/c1-31-23-11-19(12-24(13-23)32-2)15-30-16-25-27(26(17-30)29-25)22-9-7-21(8-10-22)20-5-3-18(14-28)4-6-20/h3-13,25-27,29H,15-17H2,1-2H3/t25-,26+,27?
InChIKeyYFMKCBSNBMZWEO-ZVBBVAIHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125085) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125085) is a nitrile (CHEBI:18379)
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