compound 0062973

Properties Image MNX_ID MNXM1184442 reference envipathM:...b73675d0c2fe formula C17H16FN3O2 global charge 0 mol weight 313.332 InChIKey NPTODDWDXBMDBV-KLAILNCOSA-N InChI InChI=1S/C17H16FN3O2/c18-14-8-6-12(7-9-14)15(17(23)21-11-19-10-20-21)16(22)13-4-2-1-3-5-13/h1-11,15-17,22-23H/t15-,16?,17?/m1/s1 SMILES OC(C1=CC=CC=C1)[C@@H](C1=CC=C(F)C=C1)C(O)N1C=NC=N1 MNX internals InChI (mnx) InChI=1/C17H16FN3O2/c18-14-8-6-12(7-9-14)15(17(23)21-11-19-10-20-21)16(22)13-4-2-1-3-5-13/h1-11,15-17,22-23H/t15-,16?,17?/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:13]([CH:16]([C@@H:15]([C:12]2=[CH:7][CH:9]=[C:14]([F:18])[CH:8]=[CH:6]2)[CH:17]([N:21]2[CH:11]=[N:19][CH:10]=[N:20]2)[OH:23])[OH:22])[CH:5]=[CH:3]1

Parent-child relations graph

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