| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)c3ccc(OCCC2CCN(c1nnc(cc1)C)CC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1 |
| SMILES | CACTVS | 3.341 | CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3 |
| InChIKey | InChI | 1.03 | KCHIOGFOPPOUJC-UHFFFAOYSA-N |
