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CHEBI:126557 - 4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:126557
ChEBI Name4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
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FormulaC20H19N3O2
Net Charge0
Average Mass333.391
Monoisotopic Mass333.14773
SMILESN#Cc1ccc(-c2ccc([C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)cc1
InChIInChI=1S/C20H19N3O2/c21-9-13-1-3-14(4-2-13)15-5-7-16(8-6-15)20-17-10-22-11-19(25)23(17)18(20)12-24/h1-8,17-18,20,22,24H,10-12H2/t17-,18+,20-/m1/s1
InChIKeyOUKAGPBTRJAGIF-WSTZPKSXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:126557) is a biphenyls (CHEBI:22888)
4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:126557) is a nitrile (CHEBI:18379)
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