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

Properties Image MNX_ID MNXM339843 reference chebi:127511 formula C25H24FN3O2 global charge 0 mol weight 417.484 InChIKey GZOHHZSSNRGAHO-JHMXWDHMSA-N InChI InChI=1S/C25H24FN3O2/c26-18-5-3-4-16(12-18)17-7-8-22-21(13-17)25-20(23(15-30)28-22)9-11-29(25)24(31)14-19-6-1-2-10-27-19/h1-8,10,12-13,20,23,25,28,30H,9,11,14-15H2/t20-,23+,25-/m1/s1 SMILES O=C(CC1=CC=CC=N1)N1CC[C@@H]2[C@H](CO)NC3=C(C=C(C4=CC(F)=CC=C4)C=C3)[C@@H]21 MNX internals InChI (mnx) InChI=1/C25H24FN3O2/c26-18-5-3-4-16(12-18)17-7-8-22-21(13-17)25-20(23(15-30)28-22)9-11-29(25)24(31)14-19-6-1-2-10-27-19/h1-8,10,12-13,20,23,25,28,30H,9,11,14-15H2/t20-,23+,25-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:10]=[N:27][C:19]([CH2:14][C:24]([N:29]2[CH2:11][CH2:9][C@@H:20]3[C@H:23]([CH2:15][OH:30])[NH:28][C:22]4=[C:21]([CH:13]=[C:17]([C:16]5=[CH:12][C:18]([F:26])=[CH:5][CH:3]=[CH:4]5)[CH:7]=[CH:8]4)[C@@H:25]32)=[O:31])=[CH:6]1

Parent-child relations graph

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