| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 |
| SMILES | CACTVS | 3.341 | CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 |
| InChIKey | InChI | 1.03 | ZEWQUBUPAILYHI-UHFFFAOYSA-N |
