(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171454 reference chebi:95391 formula C25H23N3O3 global charge 0 mol weight 413.477 InChIKey QYAAHEQVWPVPBC-VDKIKQQVSA-N InChI InChI=1S/C25H23N3O3/c1-31-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22(15-26)28(23(25)16-29)24(30)13-17-9-11-27-12-10-17/h2-12,14,22-23,25,29H,13,16H2,1H3/t22-,23-,25-/m1/s1 SMILES COC1=CC=CC(C2=CC=C([C@@H]3[C@@H](C#N)N(C(=O)CC4=CC=NC=C4)[C@@H]3CO)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C25H23N3O3/c1-31-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22(15-26)28(23(25)16-29)24(30)13-17-9-11-27-12-10-17/h2-12,14,22-23,25,29H,13,16H2,1H3/t22-,23-,25-/m1/s1 SMILES (mnx) [CH3:1][O:31][C:21]1=[CH:4][CH:2]=[CH:3][C:20]([C:18]2=[CH:6][CH:8]=[C:19]([C@@H:25]3[C@@H:22]([C:15]#[N:26])[N:28]([C:24]([CH2:13][C:17]4=[CH:10][CH:12]=[N:27][CH:11]=[CH:9]4)=[O:30])[C@@H:23]3[CH2:16][OH:29])[CH:7]=[CH:5]2)=[CH:14]1

Parent-child relations graph

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