Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cccc(n1)C(=O)Nc1cc2[NH]c(nc2cc1C(=O)NC)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O2/c1-13-7-6-10-16(24-13)22(29)27-17-12-19-18(11-15(17)21(28)23-2)25-20(26-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,28)(H,25,26)(H,27,29) |
InChIKey | InChI | 1.03 | FEZUIXBPOZHUAQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4 |
SMILES | CACTVS | 3.385 | CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4 |