| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H22FN5/c23-21-4-2-1-3-15(21)9-17-12-26-22-20(17)10-16(11-25-22)18-13-27-28(14-18)19-5-7-24-8-6-19/h1-4,10-14,19,24H,5-9H2,(H,25,26) |
| InChIKey | InChI | 1.03 | WTOUTWLHQLMREW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F |
