EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95369 - (2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:95369
ChEBI Name(2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC16H19N3O
Net Charge0
Average Mass269.348
Monoisotopic Mass269.15281
SMILESCN(C)CC#Cc1ccc([C@@H]2[C@H](C#N)N[C@@H]2CO)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)9-3-4-12-5-7-13(8-6-12)16-14(10-17)18-15(16)11-20/h5-8,14-16,18,20H,9,11H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyFYJCWMHGNJCWQV-ARFHVFGLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95369) is a azetidines (CHEBI:38777)
(2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95369) is a benzenes (CHEBI:22712)
(2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95369) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-6748LINCS