| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3 |
| InChI | InChI | 1.03 | InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23) |
| InChIKey | InChI | 1.03 | IQPCOMIHSUSLGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
| SMILES | CACTVS | 3.385 | COc1ccncc1CCCNCc2ccc3ccc(N)nc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N |
