| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2 |
| InChIKey | InChI | 1.03 | CXSADKGUEBUMLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1ccc(cc1)C2CC2)N3CCN(CC3)c4ccc(nn4)C#N |
| SMILES | CACTVS | 3.385 | O=C(Cc1ccc(cc1)C2CC2)N3CCN(CC3)c4ccc(nn4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 |
