Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)NC(=O)c3c(NCc2ccncc2)cccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(NC(=O)c2ccccc2NCc3ccncc3)cc1 |
SMILES | CACTVS | 3.341 | Clc1ccc(NC(=O)c2ccccc2NCc3ccncc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 |
InChI | InChI | 1.03 | InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24) |
InChIKey | InChI | 1.03 | GGPZCOONYBPZEW-UHFFFAOYSA-N |