compound 0049870

Properties Image MNX_ID MNXM1186856 reference envipathM:...3bb5dbb7576b formula C20H24ClN3O2 global charge 0 mol weight 373.884 InChIKey FSEKJKPDUXRZTM-UHFFFAOYSA-N InChI InChI=1S/C20H24ClN3O2/c1-19(2,3)12-8-14(20(4,5)11-25)18(26)17(9-12)24-22-15-7-6-13(21)10-16(15)23-24/h6-10,25-26H,11H2,1-5H3 SMILES CC(C)(C)C1=CC(N2N=C3C=CC(Cl)=CC3=N2)=C(O)C(C(C)(C)CO)=C1 MNX internals InChI (mnx) InChI=1/C20H24ClN3O2/c1-19(2,3)12-8-14(20(4,5)11-25)18(26)17(9-12)24-22-15-7-6-13(21)10-16(15)23-24/h6-10,25-26H,11H2,1-5H3 SMILES (mnx) [CH3:1][C:19]([CH3:2])([CH3:3])[C:12]1=[CH:8][C:14]([C:20]([CH3:4])([CH3:5])[CH2:11][OH:25])=[C:18]([OH:26])[C:17]([N:24]2[N:22]=[C:15]3[CH:7]=[CH:6][C:13]([Cl:21])=[CH:10][C:16]3=[N:23]2)=[CH:9]1

Parent-child relations graph

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