CHEBI:99222 - (2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile

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ChEBI Name (2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile
ChEBI ID CHEBI:99222
Stars This entity has been manually annotated by a third party.
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Formula C25H18FN3O2
Net Charge 0
Average Mass 411.429
Monoisotopic Mass 411.13830
InChI InChI=1S/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23-,24+/m0/s1
InChIKey NFTCJLSEEOPUCW-KMDXXIMOSA-N
SMILES C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CN=CC=C4)CO)F
ChEBI Ontology
Outgoing (2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99222) is a azetidines (CHEBI:38777)
(2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99222) is a benzenes (CHEBI:22712)
(2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99222) is a ring assembly (CHEBI:36820)
Manual Xref Database
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