| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1nc2ccccc2nc1CCC1CCN(C1)c1ncccc1 |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4/c1-15-17(23-19-7-3-2-6-18(19)22-15)10-9-16-11-13-24(14-16)20-8-4-5-12-21-20/h2-8,12,16H,9-11,13-14H2,1H3 |
| InChIKey | InChI | 1.03 | KEKGJMMCJBCGDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccccc2nc1CC[C@H]3CCN(C3)c4ccccn4 |
| SMILES | CACTVS | 3.385 | Cc1nc2ccccc2nc1CC[CH]3CCN(C3)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CC[C@H]3CCN(C3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCC3CCN(C3)c4ccccn4 |
