CHEBI:99199 - (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile ChEBI ID CHEBI:99199 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H23FN2O3 Net Charge 0 Average Mass 418.461 Monoisotopic Mass 418.16927 InChI InChI=1S/C25H23FN2O3/c26-21-3-1-2-18(14-21)5-4-17-6-8-19(9-7-17)24-22(15-27)28(23(24)16-29)25(30)20-10-12-31-13-11-20/h1-3,6-9,14,20,22-24,29H,10-13,16H2/t22-,23+,24-/m0/s1 InChIKey HZJTYSQKFIQHQZ-VXNXHJTFSA-N SMILES C1COCCC1C(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)F)CO ChEBI Ontology Outgoing (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:99199) is a azetidines (CHEBI:38777) (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:99199) is a benzenes (CHEBI:22712) (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:99199) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-10578 LINCS View more database links