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

Properties Image MNX_ID MNXM339857 reference chebi:125844 formula C21H21N3O2 global charge 0 mol weight 347.418 InChIKey ZFWVHLMUMICASE-DUXKGJEZSA-N InChI InChI=1S/C21H21N3O2/c1-14(26)24-10-8-17-20(13-25)23-19-7-6-15(11-18(19)21(17)24)4-5-16-3-2-9-22-12-16/h2-3,6-7,9,11-12,17,20-21,23,25H,8,10,13H2,1H3/t17-,20-,21-/m1/s1 SMILES CC(=O)N1CC[C@@H]2[C@@H](CO)NC3=C(C=C(C#CC4=CN=CC=C4)C=C3)[C@@H]21 MNX internals InChI (mnx) InChI=1/C21H21N3O2/c1-14(26)24-10-8-17-20(13-25)23-19-7-6-15(11-18(19)21(17)24)4-5-16-3-2-9-22-12-16/h2-3,6-7,9,11-12,17,20-21,23,25H,8,10,13H2,1H3/t17-,20-,21-/m1/s1 SMILES (mnx) [CH3:1][C:14]([N:24]1[CH2:10][CH2:8][C@@H:17]2[C@@H:20]([CH2:13][OH:25])[NH:23][C:19]3=[C:18]([CH:11]=[C:15]([C:4]#[C:5][C:16]4=[CH:12][N:22]=[CH:9][CH:2]=[CH:3]4)[CH:6]=[CH:7]3)[C@@H:21]21)=[O:26]

Parent-child relations graph

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