| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(nnc(c1ccc2c(c1)CCCC2)c3)NC(CCc4ncccn4)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H21N5O/c26-20(9-8-18-21-10-3-11-22-18)23-19-13-17(24-25-19)16-7-6-14-4-1-2-5-15(14)12-16/h3,6-7,10-13H,1-2,4-5,8-9H2,(H2,23,24,25,26) |
| InChIKey | InChI | 1.03 | YOAVNWPBYNWYQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCc1ncccn1)Nc2[nH]nc(c2)c3ccc4CCCCc4c3 |
| SMILES | CACTVS | 3.385 | O=C(CCc1ncccn1)Nc2[nH]nc(c2)c3ccc4CCCCc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4 |
