Bradanicline (USAN/INN)

Properties Image MNX_ID MNXM152890 reference keggD:D10613 formula C22H23N3O2 global charge 0 mol weight 361.445 InChIKey OXKRFEWMSWPKKV-UHFFFAOYSA-N InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26) SMILES O=C(N[C@H]1C2CCN(CC2)[C@@H]1CC1=CN=CC=C1)C1=CC2=C(C=CC=C2)O1 MNX internals InChI (mnx) InChI=1/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18?,21? SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:19]2[C:17](=[CH:5]1)[CH:13]=[C:20]([C:22](=[N:24][CH:21]1[CH:16]3[CH2:7][CH2:10][N:25]([CH2:11][CH2:8]3)[CH:18]1[CH2:12][C:15]1=[CH:14][N:23]=[CH:9][CH:3]=[CH:4]1)[OH:26])[O:27]2

Parent-child relations graph

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