| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)cc(cc1CCc2cc(cc(N)c2)CCc3nc(N)cc(c3)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1 |
| SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C |
| InChI | InChI | 1.03 | InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27) |
| InChIKey | InChI | 1.03 | WZQDEYWNUPXXDO-UHFFFAOYSA-N |
