CHEBI:125057 - 4-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

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ChEBI Name 4-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125057
Stars This entity has been manually annotated by a third party.
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Formula C26H25N3O
Net Charge 0
Average Mass 395.497
Monoisotopic Mass 395.19976
InChI InChI=1S/C26H25N3O/c1-30-25-5-3-2-4-22(25)15-29-16-23-26(24(17-29)28-23)21-12-10-20(11-13-21)19-8-6-18(14-27)7-9-19/h2-13,23-24,26,28H,15-17H2,1H3/t23-,24+,26?
InChIKey YFRANFUEKBKJIV-MAOIWGCQSA-N
SMILES COC1=CC=CC=C1CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N
ChEBI Ontology
Outgoing 4-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125057) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125057) is a nitrile (CHEBI:18379)
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