| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)COc3ccc(c1nc2ccc(Br)cn2c1NCCCC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25) |
| InChIKey | InChI | 1.03 | OZIYUZINTQIIAN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNc1n2cc(Br)ccc2nc1c3ccc(OCC(O)=O)cc3 |
| SMILES | CACTVS | 3.385 | CCCCNc1n2cc(Br)ccc2nc1c3ccc(OCC(O)=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O |
