compound 0050542

Properties Image MNX_ID MNXM1138858 reference envipathM:...a57f23c41426 formula C20H23N3O2 global charge 0 mol weight 337.423 InChIKey LEJVGKZNIMNNTJ-UHFFFAOYSA-N InChI InChI=1S/C20H23N3O2/c1-5-13(2)15-10-14(20(3,4)12-24)11-18(19(15)25)23-21-16-8-6-7-9-17(16)22-23/h6-13,25H,5H2,1-4H3 SMILES CCC(C)C1=CC(C(C)(C)C=O)=CC(N2N=C3C=CC=CC3=N2)=C1O MNX internals InChI (mnx) InChI=1/C20H23N3O2/c1-5-13(2)15-10-14(20(3,4)12-24)11-18(19(15)25)23-21-16-8-6-7-9-17(16)22-23/h6-13,25H,5H2,1-4H3/t13? SMILES (mnx) [CH3:1][CH2:5][CH:13]([CH3:2])[C:15]1=[C:19]([OH:25])[C:18]([N:23]2[N:21]=[C:16]3[CH:8]=[CH:6][CH:7]=[CH:9][C:17]3=[N:22]2)=[CH:11][C:14]([C:20]([CH3:3])([CH3:4])[CH:12]=[O:24])=[CH:10]1

Parent-child relations graph

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