| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN |
| InChI | InChI | 1.03 | InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21) |
| InChIKey | InChI | 1.03 | CVIHXVZLCLPGPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN |
