Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20BrClN4O2/c1-13-11-15(22)12-24-20(13)26-7-9-27(10-8-26)21(28)18-14(2)29-25-19(18)16-5-3-4-6-17(16)23/h3-6,11-12H,7-10H2,1-2H3 |
InChIKey | InChI | 1.03 | FJRSKYVUWHZUJT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C |
SMILES | CACTVS | 3.370 | Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br |