| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(c2cc(c1ccc(F)cc1)cc(c2O)O)(=O)NCCCCCn3cncc3 |
| InChI | InChI | 1.03 | InChI=1S/C21H22FN3O3/c22-17-6-4-15(5-7-17)16-12-18(20(27)19(26)13-16)21(28)24-8-2-1-3-10-25-11-9-23-14-25/h4-7,9,11-14,26-27H,1-3,8,10H2,(H,24,28) |
| InChIKey | InChI | 1.03 | WQIGOCFLNCQOJK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(c1O)C(=O)NCCCCCn2ccnc2)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Oc1cc(cc(c1O)C(=O)NCCCCCn2ccnc2)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F |
