| Properties | Image |
|---|
| MNX_ID | MNXM43391 |
 |
| reference | keggD:D03221 |
| formula | C29H29F6N3O2 |
| global charge | 0 |
| mol weight | 565.558 |
| InChIKey | ZGNPLCMMVKCTHM-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3 |
| SMILES | CC1=C(C2=C(N(C)C(=O)C(C)(C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C=NC(N3CCOCC3)=C2)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:22]1[C:23]1=[CH:16][C:25]([N:38]2[CH2:9][CH2:11][O:40][CH2:12][CH2:10]2)=[N:36][CH:17]=[C:24]1[N:37]([CH3:4])[C:26]([C:27]([CH3:2])([CH3:3])[C:19]1=[CH:13][C:20]([C:28]([F:30])([F:31])[F:32])=[CH:15][C:21]([C:29]([F:33])([F:34])[F:35])=[CH:14]1)=[O:39] |
|