Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21BrN2O3/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3 |
InChIKey | InChI | 1.03 | UJLZWNQHEVGZBY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O |