| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C1CCc2cccc(Br)c21)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H19BrN2O2/c17-13-5-1-3-10-6-7-12(14(10)13)16(21)19-8-2-4-11(9-19)15(18)20/h1,3,5,11-12H,2,4,6-9H2,(H2,18,20)/t11-,12?/m0/s1 |
| InChIKey | InChI | 1.06 | AXUVEMNCADPROP-PXYINDEMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCc3cccc(Br)c23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3cccc(Br)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)Br)[C@H](CC2)C(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)Br)C(CC2)C(=O)N3CCCC(C3)C(=O)N |
