Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1Cl)NC(=O)/N=C3\C=C(NN3c2cccc(c2)CC(=O)N)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)C1=CC(=NC(=O)Nc2cccc(Cl)c2Cl)N(N1)c3cccc(CC(N)=O)c3 |
SMILES | CACTVS | 3.370 | CC(C)(C)C1=CC(=NC(=O)Nc2cccc(Cl)c2Cl)N(N1)c3cccc(CC(N)=O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N |
InChI | InChI | 1.03 | InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12,28H,11H2,1-3H3,(H2,25,30)(H,26,31)/b27-19+ |
InChIKey | InChI | 1.03 | LLLDJNNXZHGRQO-ZXVVBBHZSA-N |