| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H22BrN5O2/c20-16-4-1-2-5-17(16)24-10-3-11-25(24)18(26)13-23-19(27)22-12-14-6-8-15(21)9-7-14/h1-2,4-9H,3,10-13,21H2,(H2,22,23,27) |
| InChIKey | InChI | 1.06 | CDUGYVAEBXUUHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c3ccccc3Br)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c3ccccc3Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br |
