syn-(1S,4R,9S)-isopyrazam

Properties Image MNX_ID MNXM161378 reference chebi:83131 formula C20H23F2N3O global charge 0 mol weight 359.42 InChIKey XTDZGXBTXBEZDN-IOASZLSFSA-N InChI InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)/t12-,13-,16+/m1/s1 SMILES CC(C)[C@H]1[C@@H]2CC[C@H]1C1=C(NC(=O)C3=CN(C)N=C3C(F)F)C=CC=C12 MNX internals InChI (mnx) InChI=1/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)/t12-,13-,16+/m1/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[C@H:16]1[C@@H:12]2[CH2:7][CH2:8][C@H:13]1[C:17]1=[C:11]2[CH:5]=[CH:4][CH:6]=[C:15]1[N:23]=[C:20]([C:14]1=[CH:9][N:25]([CH3:3])[N:24]=[C:18]1[CH:19]([F:21])[F:22])[OH:26]

Parent-child relations graph

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