CHEBI:95371 - (2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile

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ChEBI Name (2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile
ChEBI ID CHEBI:95371
Stars This entity has been manually annotated by a third party.
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Formula C23H21N3O2
Net Charge 0
Average Mass 371.433
Monoisotopic Mass 371.16338
InChI InChI=1S/C23H21N3O2/c24-14-20-23(18-10-8-17(9-11-18)7-6-16-4-5-16)21(15-27)26(20)22(28)13-19-3-1-2-12-25-19/h1-3,8-12,16,20-21,23,27H,4-5,13,15H2/t20-,21-,23-/m1/s1
InChIKey FLQYRXYGAVUNDA-MQSCRBSSSA-N
SMILES C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C(=O)CC4=CC=CC=N4)CO
ChEBI Ontology
Outgoing (2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile (CHEBI:95371) is a azetidines (CHEBI:38777)
(2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile (CHEBI:95371) is a benzenes (CHEBI:22712)
(2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile (CHEBI:95371) is a ring assembly (CHEBI:36820)
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