1-[(3aS,4S,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(3-pyridinyl)ethanone

Properties Image MNX_ID MNXM339876 reference chebi:128581 formula C26H26FN3O2 global charge 0 mol weight 431.511 InChIKey GPKOVPMMPCOHRN-YMVVMYQSSA-N InChI InChI=1S/C26H26FN3O2/c1-29-23-8-7-19(18-5-2-6-20(27)13-18)14-22(23)26-21(24(29)16-31)9-11-30(26)25(32)12-17-4-3-10-28-15-17/h2-8,10,13-15,21,24,26,31H,9,11-12,16H2,1H3/t21-,24-,26-/m1/s1 SMILES CN1C2=C(C=C(C3=CC(F)=CC=C3)C=C2)[C@H]2[C@H](CCN2C(=O)CC2=CN=CC=C2)[C@H]1CO MNX internals InChI (mnx) InChI=1/C26H26FN3O2/c1-29-23-8-7-19(18-5-2-6-20(27)13-18)14-22(23)26-21(24(29)16-31)9-11-30(26)25(32)12-17-4-3-10-28-15-17/h2-8,10,13-15,21,24,26,31H,9,11-12,16H2,1H3/t21-,24-,26-/m1/s1 SMILES (mnx) [CH3:1][N:29]1[C:23]2=[C:22]([CH:14]=[C:19]([C:18]3=[CH:13][C:20]([F:27])=[CH:6][CH:2]=[CH:5]3)[CH:7]=[CH:8]2)[C@H:26]2[C@H:21]([CH2:9][CH2:11][N:30]2[C:25]([CH2:12][C:17]2=[CH:15][N:28]=[CH:10][CH:3]=[CH:4]2)=[O:32])[C@H:24]1[CH2:16][OH:31]

Parent-child relations graph

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