Nelotanserin

Properties Image MNX_ID MNXM64320 reference chebi:177438 formula C18H15BrF2N4O2 global charge 0 mol weight 437.244 InChIKey COSPVUFTLGQDQL-UHFFFAOYSA-N InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26) SMILES COC1=CC=C(NC(=O)NC2=C(F)C=C(F)C=C2)C=C1C1=C(Br)C=NN1C MNX internals InChI (mnx) InChI=1/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26) SMILES (mnx) [CH3:1][N:25]1[C:17]([C:12]2=[C:16]([O:27][CH3:2])[CH:6]=[CH:4][C:11]([N:23]=[C:18]([NH:24][C:15]3=[C:14]([F:21])[CH:7]=[C:10]([F:20])[CH:3]=[CH:5]3)[OH:26])=[CH:8]2)=[C:13]([Br:19])[CH:9]=[N:22]1

Parent-child relations graph

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