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

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ChEBI Name 4-[4-[(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125085
Stars This entity has been manually annotated by a third party.
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Formula C27H27N3O2
Net Charge 0
Average Mass 425.523
Monoisotopic Mass 425.21033
InChI InChI=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?
InChIKey YFMKCBSNBMZWEO-ZVBBVAIHSA-N
SMILES COC1=CC(=CC(=C1)CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)OC
ChEBI Ontology
Outgoing 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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