Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Br)c(Cl)c1 |
InChI | InChI | 1.03 | InChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24) |
InChIKey | InChI | 1.03 | LMYRFZVTGXUSKU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(ccc1Br)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 |
SMILES | CACTVS | 3.385 | Clc1cc(ccc1Br)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br |