| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c2cc(c1ncn(n1)CCC(=O)OC(C)C)cc(OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C16H18F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h6-10H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | QJLVYXNWBWLHFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)OC(C)C)n2 |
| SMILES | CACTVS | 3.370 | COc1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)OC(C)C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F |
