Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(=[N@H])N)Cn3c(ccc3c2ccc(NC(=O)c1cccc(Br)c1)cc2)c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NC(=O)Cn1c(ccc1c2ccc(NC(=O)c3cccc(Br)c3)cc2)c4ccccc4 |
SMILES | CACTVS | 3.341 | NC(=N)NC(=O)Cn1c(ccc1c2ccc(NC(=O)c3cccc(Br)c3)cc2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) |
InChIKey | InChI | 1.03 | XWWAMKGNSKOVNS-UHFFFAOYSA-N |