| Properties | Image |
|---|
| MNX_ID | MNXM1146863 |
 |
| reference | envipathM:...dfc1521565f6 |
| formula | C25H26N6O2 |
| global charge | 0 |
| mol weight | 442.523 |
| InChIKey | MYMGYUXQIWBKOV-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H26N6O2/c32-16-6-3-9-22-26-25(14-4-5-15-25)24(33)31(22)17-18-10-12-19(13-11-18)20-7-1-2-8-21(20)23-27-29-30-28-23/h1-2,7-8,10-13,16H,3-6,9,14-15,17H2,(H,27,28,29,30) |
| SMILES | O=CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C2=C(C3=NNN=N3)C=CC=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H26N6O2/c32-16-6-3-9-22-26-25(14-4-5-15-25)24(33)31(22)17-18-10-12-19(13-11-18)20-7-1-2-8-21(20)23-27-29-30-28-23/h1-2,7-8,10-13,16H,3-6,9,14-15,17H2,(H,27,28,29,30) |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:8]=[C:21]([C:23]2=[N:27][NH:29][N:30]=[N:28]2)[C:20]([C:19]2=[CH:13][CH:11]=[C:18]([CH2:17][N:31]3[C:22]([CH2:9][CH2:3][CH2:6][CH:16]=[O:32])=[N:26][C:25]4([CH2:14][CH2:4][CH2:5][CH2:15]4)[C:24]3=[O:33])[CH:10]=[CH:12]2)=[CH:7]1 |
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