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CHEBI:95363 - (2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:95363
ChEBI Name(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
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FormulaC19H22N2O
Net Charge0
Average Mass294.398
Monoisotopic Mass294.17321
SMILESN#C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C#CC2CCCCC2)cc1
InChIInChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18-,19-/m1/s1
InChIKeyANDSQWRABKLSGR-GUDVDZBRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95363) is a azetidines (CHEBI:38777)
(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95363) is a benzenes (CHEBI:22712)
(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95363) is a ring assembly (CHEBI:36820)
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