Tilapertin (USAN/INN)

Properties Image MNX_ID MNXM161632 reference keggD:D10672 formula C20H21F3N2O2 global charge 0 mol weight 378.394 InChIKey MDLQJNCGZVDZFV-LJQANCHMSA-N InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)17-8-4-7-16(13-17)19(15-5-2-1-3-6-15)25-11-9-24(10-12-25)14-18(26)27/h1-8,13,19H,9-12,14H2,(H,26,27)/t19-/m1/s1 SMILES O=C(O)CN1CCN([C@H](C2=CC=CC=C2)C2=CC=CC(C(F)(F)F)=C2)CC1 MNX internals InChI (mnx) InChI=1/C20H21F3N2O2/c21-20(22,23)17-8-4-7-16(13-17)19(15-5-2-1-3-6-15)25-11-9-24(10-12-25)14-18(26)27/h1-8,13,19H,9-12,14H2,(H,26,27)/t19-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:5]=[C:15]([C@H:19]([C:16]2=[CH:13][C:17]([C:20]([F:21])([F:22])[F:23])=[CH:8][CH:4]=[CH:7]2)[N:25]2[CH2:11][CH2:9][N:24]([CH2:14][C:18](=[O:26])[OH:27])[CH2:10][CH2:12]2)[CH:6]=[CH:3]1

Parent-child relations graph

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