Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC |
InChI | InChI | 1.03 | InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28) |
InChIKey | InChI | 1.03 | SDKKHBKWXKHEHO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN(C)Cc2cc1Nc3ncc(C(N)=O)c(Nc4ccccc4Br)n3 |
SMILES | CACTVS | 3.385 | COc1cc2CCN(C)Cc2cc1Nc3ncc(C(N)=O)c(Nc4ccccc4Br)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC |