| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1(C(=O)NCC#N)CCCCC1)c2ccc(Br)cc2N |
| InChI | InChI | 1.03 | InChI=1S/C16H19BrN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,10H,1-3,6-7,9,19H2,(H,20,23)(H,21,22) |
| InChIKey | InChI | 1.03 | KVQZUZVIKTWMTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(Br)ccc1C(=O)NC2(CCCCC2)C(=O)NCC#N |
| SMILES | CACTVS | 3.385 | Nc1cc(Br)ccc1C(=O)NC2(CCCCC2)C(=O)NCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N |
