Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CC(=O)Nc1cncc2cnccc21 |
InChI | InChI | 1.06 | InChI=1S/C16H11Cl2N3O/c17-13-2-1-10(5-14(13)18)6-16(22)21-15-9-20-8-11-7-19-4-3-12(11)15/h1-5,7-9H,6H2,(H,21,22) |
InChIKey | InChI | 1.06 | IOZNTHKFTJIBSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl |
SMILES | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl |