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CHEBI:129022 - 3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:129022
ChEBI Name3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
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FormulaC30H31N3O2
Net Charge0
Average Mass465.597
Monoisotopic Mass465.24163
SMILESN#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1
InChIInChI=1S/C30H31N3O2/c31-19-23-9-6-10-26(17-23)24-11-13-25(14-12-24)30-27-20-32(15-4-5-16-33(27)28(30)21-34)29(35)18-22-7-2-1-3-8-22/h1-3,6-14,17,27-28,30,34H,4-5,15-16,18,20-21H2/t27-,28-,30+/m0/s1
InChIKeyMZHQLKQQZJHEDF-TWLDFKIOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129022) is a biphenyls (CHEBI:22888)
3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129022) is a nitrile (CHEBI:18379)
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