EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97741 - (2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

ChEBI IDCHEBI:97741
ChEBI Name(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
Stars
DownloadsMolfile
FormulaC17H20N2O2
Net Charge0
Average Mass284.359
Monoisotopic Mass284.15248
SMILESN#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCCC1
InChIInChI=1S/C17H20N2O2/c18-10-14-16(12-6-2-1-3-7-12)15(11-20)19(14)17(21)13-8-4-5-9-13/h1-3,6-7,13-16,20H,4-5,8-9,11H2/t14-,15-,16+/m0/s1
InChIKeyRUNWFOIXOHBRTB-HRCADAONSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97741) is a azetidines (CHEBI:38777)
(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97741) is a benzenes (CHEBI:22712)
(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97741) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-9120LINCS