| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCCNCCc2cc3nc(ccc3cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24) |
| InChIKey | InChI | 1.03 | ZCQVAHWJMSLTRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N |
