Ralmitaront (USAN/INN)

Properties Image MNX_ID MNXM1130170 reference keggD:D11830 formula C17H22N4O2 global charge 0 mol weight 314.389 InChIKey XHHXGKRFUPEPFM-OAHLLOKOSA-N InChI InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1 SMILES CCC1=C(C)C(C(=O)NC2=CC=C([C@H]3CNCCO3)C=C2)=NN1 MNX internals InChI (mnx) InChI=1/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][C:14]1=[C:11]([CH3:2])[C:16]([C:17](=[N:19][C:13]2=[CH:7][CH:5]=[C:12]([C@H:15]3[CH2:10][NH:18][CH2:8][CH2:9][O:23]3)[CH:4]=[CH:6]2)[OH:22])=[N:21][NH:20]1

Parent-child relations graph

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