EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95373 - (2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:95373
ChEBI Name(2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC23H21FN2O2
Net Charge0
Average Mass376.431
Monoisotopic Mass376.15871
SMILESCC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)c3cccc(F)c3)[C@H]2C#N)cc1
InChIInChI=1S/C23H21FN2O2/c1-15(2)6-7-16-8-10-17(11-9-16)22-20(13-25)26(21(22)14-27)23(28)18-4-3-5-19(24)12-18/h3-5,8-12,15,20-22,27H,14H2,1-2H3/t20-,21+,22+/m0/s1
InChIKeyDGEMMPDKDCWCNC-BHDDXSALSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95373) is a azetidines (CHEBI:38777)
(2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95373) is a benzenes (CHEBI:22712)
(2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95373) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-6752LINCS