(2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171431 reference chebi:95383 formula C22H22N4O2 global charge 0 mol weight 374.444 InChIKey VMSOXHKZIPRGST-KCZVDYSFSA-N InChI InChI=1S/C22H22N4O2/c1-25(2)14-21(28)26-19(12-23)22(20(26)15-27)18-9-7-16(8-10-18)5-6-17-4-3-11-24-13-17/h3-4,7-11,13,19-20,22,27H,14-15H2,1-2H3/t19-,20-,22-/m1/s1 SMILES CN(C)CC(=O)N1[C@H](C#N)[C@@H](C2=CC=C(C#CC3=CN=CC=C3)C=C2)[C@H]1CO MNX internals InChI (mnx) InChI=1/C22H22N4O2/c1-25(2)14-21(28)26-19(12-23)22(20(26)15-27)18-9-7-16(8-10-18)5-6-17-4-3-11-24-13-17/h3-4,7-11,13,19-20,22,27H,14-15H2,1-2H3/t19-,20-,22-/m1/s1 SMILES (mnx) [CH3:1][N:25]([CH3:2])[CH2:14][C:21]([N:26]1[C@H:19]([C:12]#[N:23])[C@@H:22]([C:18]2=[CH:10][CH:8]=[C:16]([C:5]#[C:6][C:17]3=[CH:13][N:24]=[CH:11][CH:3]=[CH:4]3)[CH:7]=[CH:9]2)[C@H:20]1[CH2:15][OH:27])=[O:28]

Parent-child relations graph

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