compound 0049942

Properties Image MNX_ID MNXM1185892 reference envipathM:...1817d23c98a6 formula C20H23N3O2 global charge 0 mol weight 337.423 InChIKey VGCNTTWVFJWXDJ-UHFFFAOYSA-N InChI InChI=1S/C20H23N3O2/c1-19(2,3)12-20(4,13-24)14-9-10-18(25)17(11-14)23-21-15-7-5-6-8-16(15)22-23/h5-11,13,25H,12H2,1-4H3 SMILES CC(C)(C)CC(C)(C=O)C1=CC=C(O)C(N2N=C3C=CC=CC3=N2)=C1 MNX internals InChI (mnx) InChI=1/C20H23N3O2/c1-19(2,3)12-20(4,13-24)14-9-10-18(25)17(11-14)23-21-15-7-5-6-8-16(15)22-23/h5-11,13,25H,12H2,1-4H3/t20? SMILES (mnx) [CH3:1][C:19]([CH3:2])([CH3:3])[CH2:12][C:20]([CH3:4])([CH:13]=[O:24])[C:14]1=[CH:11][C:17]([N:23]2[N:21]=[C:15]3[CH:7]=[CH:5][CH:6]=[CH:8][C:16]3=[N:22]2)=[C:18]([OH:25])[CH:10]=[CH:9]1

Parent-child relations graph

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