(1R,5S)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

Properties Image MNX_ID MNXM169793 reference chebi:125712 formula C25H24FN3O2 global charge 0 mol weight 417.484 InChIKey UWENYPRZIHDRFG-VSGJHWFKSA-N InChI InChI=1S/C25H24FN3O2/c1-31-19-6-4-5-18(13-19)16-9-11-17(12-10-16)24-22-14-27-15-23(24)29(22)25(30)28-21-8-3-2-7-20(21)26/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24? SMILES COC1=CC=CC(C2=CC=C(C3[C@H]4CNC[C@@H]3N4C(=O)NC3=CC=CC=C3F)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C25H24FN3O2/c1-31-19-6-4-5-18(13-19)16-9-11-17(12-10-16)24-22-14-27-15-23(24)29(22)25(30)28-21-8-3-2-7-20(21)26/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24? SMILES (mnx) [CH3:1][O:31][C:19]1=[CH:6][CH:4]=[CH:5][C:18]([C:16]2=[CH:10][CH:12]=[C:17]([CH:24]3[C@@H:22]4[CH2:14][NH:27][CH2:15][C@H:23]3[N:29]4[C:25](=[N:28][C:21]3=[CH:8][CH:3]=[CH:2][CH:7]=[C:20]3[F:26])[OH:30])[CH:11]=[CH:9]2)=[CH:13]1

Parent-child relations graph

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