(2R,3R,4S)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM170673 reference chebi:95373 formula C23H21FN2O2 global charge 0 mol weight 376.431 InChIKey DGEMMPDKDCWCNC-BHDDXSALSA-N InChI InChI=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+/m0/s1 SMILES CC(C)C#CC1=CC=C([C@H]2[C@@H](CO)N(C(=O)C3=CC(F)=CC=C3)[C@H]2C#N)C=C1 MNX internals InChI (mnx) InChI=1/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+/m0/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[C:6]#[C:7][C:16]1=[CH:9][CH:11]=[C:17]([C@@H:22]2[C@H:20]([C:13]#[N:25])[N:26]([C:23]([C:18]3=[CH:12][C:19]([F:24])=[CH:5][CH:3]=[CH:4]3)=[O:28])[C@@H:21]2[CH2:14][OH:27])[CH:10]=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0