1-[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

Properties Image MNX_ID MNXM339864 reference chebi:126618 formula C21H23BrN2O2 global charge 0 mol weight 415.331 InChIKey CDWQQECEQQYKFS-SCWSEQNSSA-N InChI InChI=1S/C21H23BrN2O2/c1-23-18-8-7-15(22)12-17(18)21-16(19(23)13-25)9-10-24(21)20(26)11-14-5-3-2-4-6-14/h2-8,12,16,19,21,25H,9-11,13H2,1H3/t16-,19+,21-/m0/s1 SMILES CN1C2=C(C=C(Br)C=C2)[C@@H]2[C@@H](CCN2C(=O)CC2=CC=CC=C2)[C@H]1CO MNX internals InChI (mnx) InChI=1/C21H23BrN2O2/c1-23-18-8-7-15(22)12-17(18)21-16(19(23)13-25)9-10-24(21)20(26)11-14-5-3-2-4-6-14/h2-8,12,16,19,21,25H,9-11,13H2,1H3/t16-,19+,21-/m0/s1 SMILES (mnx) [CH3:1][N:23]1[C:18]2=[C:17]([CH:12]=[C:15]([Br:22])[CH:7]=[CH:8]2)[C@@H:21]2[C@@H:16]([CH2:9][CH2:10][N:24]2[C:20]([CH2:11][C:14]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)=[O:26])[C@H:19]1[CH2:13][OH:25]

Parent-child relations graph

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