compound 0059796

Properties Image MNX_ID MNXM1177485 reference envipathM:...24e33bdf4648 formula C18H24ClN3O global charge 0 mol weight 333.863 InChIKey JUVUCSAQSLNHNM-UHFFFAOYSA-N InChI InChI=1S/C18H24ClN3O/c1-12(2)16-8-5-14(9-13-3-6-15(19)7-4-13)17(16)18(23)22-11-20-10-21-22/h3-4,6-7,10-12,14,16-18,23H,5,8-9H2,1-2H3 SMILES CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1C(O)N1C=NC=N1 MNX internals InChI (mnx) InChI=1/C18H24ClN3O/c1-12(2)16-8-5-14(9-13-3-6-15(19)7-4-13)17(16)18(23)22-11-20-10-21-22/h3-4,6-7,10-12,14,16-18,23H,5,8-9H2,1-2H3/t14?,16?,17?,18? SMILES (mnx) [CH3:1][CH:12]([CH3:2])[CH:16]1[CH2:8][CH2:5][CH:14]([CH2:9][C:13]2=[CH:4][CH:7]=[C:15]([Cl:19])[CH:6]=[CH:3]2)[CH:17]1[CH:18]([N:22]1[CH:11]=[N:20][CH:10]=[N:21]1)[OH:23]

Parent-child relations graph

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