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CHEBI:130615 - 4-[4-[(1R,5S)-6-[(3-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:130615
ChEBI Name4-[4-[(1R,5S)-6-[(3-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
SMILESCOc1cccc(CN2[C@@H]3CNC[C@H]2C3c2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C26H25N3O/c1-30-23-4-2-3-19(13-23)17-29-24-15-28-16-25(29)26(24)22-11-9-21(10-12-22)20-7-5-18(14-27)6-8-20/h2-13,24-26,28H,15-17H2,1H3/t24-,25+,26?
InChIKeyBJLUEZLHFPNGIB-IQCGEYIDSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1R,5S)-6-[(3-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:130615) is a biphenyls (CHEBI:22888)
4-[4-[(1R,5S)-6-[(3-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:130615) is a nitrile (CHEBI:18379)
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