| Properties | Image |
|---|
| MNX_ID | MNXM161237 |
 |
| reference | keggD:D10728 |
| formula | C22H23N5O2 |
| global charge | 0 |
| mol weight | 389.459 |
| InChIKey | MPYACSQFXVMWNO-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28) |
| SMILES | CC1(C)CN(C(=O)C2=CC=C(C3=CC=CC4=NC(NC(=O)C5CC5)=NN34)C=C2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28) |
 |
| SMILES (mnx) | [CH3:1][C:22]1([CH3:2])[CH2:12][N:26]([C:20]([C:16]2=[CH:11][CH:7]=[C:14]([C:17]3=[CH:4][CH:3]=[CH:5][C:18]4=[N:23][C:21]([N:24]=[C:19]([CH:15]5[CH2:8][CH2:9]5)[OH:28])=[N:25][N:27]34)[CH:6]=[CH:10]2)=[O:29])[CH2:13]1 |
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