1-[(3aR,4R,9bR)-8-(2-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone

Properties Image MNX_ID MNXM339842 reference chebi:128390 formula C25H24FN3O2 global charge 0 mol weight 417.484 InChIKey FYKRKSAHPADLCF-HFRGRHLUSA-N InChI InChI=1S/C25H24FN3O2/c26-21-4-2-1-3-18(21)17-5-6-22-20(14-17)25-19(23(15-30)28-22)9-12-29(25)24(31)13-16-7-10-27-11-8-16/h1-8,10-11,14,19,23,25,28,30H,9,12-13,15H2/t19-,23+,25-/m1/s1 SMILES O=C(CC1=CC=NC=C1)N1CC[C@@H]2[C@H](CO)NC3=C(C=C(C4=CC=CC=C4F)C=C3)[C@@H]21 MNX internals InChI (mnx) InChI=1/C25H24FN3O2/c26-21-4-2-1-3-18(21)17-5-6-22-20(14-17)25-19(23(15-30)28-22)9-12-29(25)24(31)13-16-7-10-27-11-8-16/h1-8,10-11,14,19,23,25,28,30H,9,12-13,15H2/t19-,23+,25-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:21]([F:26])[C:18]([C:17]2=[CH:14][C:20]3=[C:22]([CH:6]=[CH:5]2)[NH:28][C@@H:23]([CH2:15][OH:30])[C@H:19]2[CH2:9][CH2:12][N:29]([C:24]([CH2:13][C:16]4=[CH:8][CH:11]=[N:27][CH:10]=[CH:7]4)=[O:31])[C@H:25]23)=[CH:3]1

Parent-child relations graph

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