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CHEBI:98617 - (2S,3S,4R)-1-(3-fluorobenzoyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile

ChEBI IDCHEBI:98617
ChEBI Name(2S,3S,4R)-1-(3-fluorobenzoyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
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FormulaC23H21FN2O2
Net Charge0
Average Mass376.431
Monoisotopic Mass376.15871
SMILESCC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)c3cccc(F)c3)[C@H]2CO)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+/m1/s1
InChIKeyDGEMMPDKDCWCNC-FSSWDIPSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-1-(3-fluorobenzoyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98617) is a azetidines (CHEBI:38777)
(2S,3S,4R)-1-(3-fluorobenzoyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98617) is a benzenes (CHEBI:22712)
(2S,3S,4R)-1-(3-fluorobenzoyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98617) is a ring assembly (CHEBI:36820)
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