| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N)c1cccc2nc(nc12)C3CCN(CCC)CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCN1CCC(CC1)c2[nH]c3c(cccc3C(N)=O)n2 |
| SMILES | CACTVS | 3.341 | CCCN1CCC(CC1)c2[nH]c3c(cccc3C(N)=O)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19) |
| InChIKey | InChI | 1.03 | KXSIHXHEHABEJX-UHFFFAOYSA-N |
