| Properties | Image |
|---|
| MNX_ID | MNXM530110 |
 |
| reference | chebi:127970 |
| formula | C25H30FN3O2 |
| global charge | 0 |
| mol weight | 423.532 |
| InChIKey | XNACUZIZQDXWGE-WXFUMESZSA-N |
| InChI | InChI=1S/C25H30FN3O2/c1-2-5-18-6-8-19(9-7-18)24-22-16-28(14-3-4-15-29(22)23(24)17-30)25(31)27-21-12-10-20(26)11-13-21/h2,5-13,22-24,30H,3-4,14-17H2,1H3,(H,27,31)/t22-,23-,24-/m1/s1 |
| SMILES | CC=CC1=CC=C([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4=CC=C(F)C=C4)C[C@H]23)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H30FN3O2/c1-2-5-18-6-8-19(9-7-18)24-22-16-28(14-3-4-15-29(22)23(24)17-30)25(31)27-21-12-10-20(26)11-13-21/h2,5-13,22-24,30H,3-4,14-17H2,1H3,(H,27,31)/b5-2?/t22-,23-,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:2]=[CH:5][C:18]1=[CH:7][CH:9]=[C:19]([C@@H:24]2[C@H:22]3[CH2:16][N:28]([C:25]([NH:27][C:21]4=[CH:13][CH:11]=[C:20]([F:26])[CH:10]=[CH:12]4)=[O:31])[CH2:14][CH2:3][CH2:4][CH2:15][N:29]3[C@@H:23]2[CH2:17][OH:30])[CH:8]=[CH:6]1 |
|