EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129588 - 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:129588
ChEBI Name4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
Stars
DownloadsMolfile
FormulaC30H31N3O2
Net Charge0
Average Mass465.597
Monoisotopic Mass465.24163
SMILESN#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1
InChIInChI=1S/C30H31N3O2/c31-19-23-8-10-24(11-9-23)25-12-14-26(15-13-25)30-27-20-32(16-4-5-17-33(27)28(30)21-34)29(35)18-22-6-2-1-3-7-22/h1-3,6-15,27-28,30,34H,4-5,16-18,20-21H2/t27-,28-,30+/m0/s1
InChIKeyOLVQWYVGUXLOFL-TWLDFKIOSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129588) is a biphenyls (CHEBI:22888)
4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129588) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-41139LINCS