trans-(1S,2R)-sedaxane

Properties Image MNX_ID MNXM161737 reference chebi:83178 formula C18H19F2N3O global charge 0 mol weight 331.366 InChIKey XQJQCBDIXRIYRP-STQMWFEESA-N InChI InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1 SMILES CN1C=C(C(=O)NC2=CC=CC=C2[C@@H]2C[C@H]2C2CC2)C(C(F)F)=N1 MNX internals InChI (mnx) InChI=1/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1 SMILES (mnx) [CH3:1][N:23]1[CH:9]=[C:14]([C:18](=[N:21][C:15]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]2[C@@H:13]2[CH2:8][C@H:12]2[CH:10]2[CH2:6][CH2:7]2)[OH:24])[C:16]([CH:17]([F:19])[F:20])=[N:22]1

Parent-child relations graph

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