| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4ccc(NC(=O)C)cc4)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(NC(C)=O)cc4)nc13 |
| SMILES | CACTVS | 3.341 | CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(NC(C)=O)cc4)nc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F |
| InChI | InChI | 1.03 | InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) |
| InChIKey | InChI | 1.03 | JHSHXKJSPVHPCJ-UHFFFAOYSA-N |
