EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125077 - 3-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125077
ChEBI Name3-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
Stars
DownloadsMolfile
FormulaC22H20N4O
Net Charge0
Average Mass356.429
Monoisotopic Mass356.16371
SMILESN#Cc1cccc(-c2ccc(C3[C@@H]4CN(Cc5cocn5)C[C@H]3N4)cc2)c1
InChIInChI=1S/C22H20N4O/c23-9-15-2-1-3-18(8-15)16-4-6-17(7-5-16)22-20-11-26(12-21(22)25-20)10-19-13-27-14-24-19/h1-8,13-14,20-22,25H,10-12H2/t20-,21+,22?
InChIKeyVUSRCQTTXZVLHF-CBQGHPETSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125077) is a biphenyls (CHEBI:22888)
3-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125077) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-36539LINCS