Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H19N5O4/c1-13-9-18-19(5-3-6-20(18)28-27-13)26-22(30)15-10-16(24-14(2)29)12-17(11-15)25-23(31)21-7-4-8-32-21/h3-12H,1-2H3,(H,24,29)(H,25,31)(H,26,30) |
InChIKey | InChI | 1.03 | KNUFZYGMIQUYJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 |