Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27) |
InChIKey | InChI | 1.03 | FZLKVWWPFOLPKF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12 |
SMILES | CACTVS | 3.385 | Brc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I |