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

Properties Image MNX_ID MNXM171458 reference chebi:124945 formula C18H15N3O global charge 0 mol weight 289.338 InChIKey CEWNZZGSWRHALT-KZNAEPCWSA-N InChI InChI=1S/C18H15N3O/c19-10-16-18(17(12-22)21-16)15-7-5-13(6-8-15)3-4-14-2-1-9-20-11-14/h1-2,5-9,11,16-18,21-22H,12H2/t16-,17-,18-/m1/s1 SMILES N#C[C@H]1N[C@H](CO)[C@@H]1C1=CC=C(C#CC2=CN=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C18H15N3O/c19-10-16-18(17(12-22)21-16)15-7-5-13(6-8-15)3-4-14-2-1-9-20-11-14/h1-2,5-9,11,16-18,21-22H,12H2/t16-,17-,18-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:14]([C:4]#[C:3][C:13]2=[CH:6][CH:8]=[C:15]([C@@H:18]3[C@@H:16]([C:10]#[N:19])[NH:21][C@@H:17]3[CH2:12][OH:22])[CH:7]=[CH:5]2)=[CH:11][N:20]=[CH:9]1

Parent-child relations graph

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