| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C3CCN(c2nc(c1cccc(OC)c1)cnc2N)CC3 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cccc(c1)c2cnc(N)c(n2)N3CCC(CC3)C(O)=O |
| SMILES | CACTVS | 3.352 | COc1cccc(c1)c2cnc(N)c(n2)N3CCC(CC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O3/c1-24-13-4-2-3-12(9-13)14-10-19-15(18)16(20-14)21-7-5-11(6-8-21)17(22)23/h2-4,9-11H,5-8H2,1H3,(H2,18,19)(H,22,23) |
| InChIKey | InChI | 1.03 | DXJSLXVHZRWEMR-UHFFFAOYSA-N |
