EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98225 - (2S,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide

ChEBI IDCHEBI:98225
ChEBI Name(2S,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
Stars
DownloadsMolfile
FormulaC23H19FN4O2
Net Charge0
Average Mass402.429
Monoisotopic Mass402.14920
SMILESN#C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-18-7-9-19(10-8-18)27-23(30)28-20(12-25)22(21(28)14-29)16-5-3-15(4-6-16)17-2-1-11-26-13-17/h1-11,13,20-22,29H,14H2,(H,27,30)/t20-,21+,22+/m1/s1
InChIKeyOSGUSCSJMGIYLG-FSSWDIPSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide (CHEBI:98225) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-9604LINCS