Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[N@H])NC(=O)Cn3c2ccccc2cc3 |
InChI | InChI | 1.03 | InChI=1S/C20H19Cl2N5O2/c1-12(28)25-19-15(21)8-13(9-16(19)22)10-24-20(23)26-18(29)11-27-7-6-14-4-2-3-5-17(14)27/h2-9H,10-11H2,1H3,(H,25,28)(H3,23,24,26,29) |
InChIKey | InChI | 1.03 | PTYGSLKLIDGJBA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)Cn2ccc3ccccc23)cc1Cl |
SMILES | CACTVS | 3.370 | CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)Cn2ccc3ccccc23)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1c(cc(cc1Cl)CNC(=N)NC(=O)Cn2ccc3c2cccc3)Cl |