Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(cc1)n2c(cc(C(=O)N)n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O |
InChI | InChI | 1.03 | InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31) |
InChIKey | InChI | 1.03 | YVUMGRGBUXDTQI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3)n(n1)c4ccccc4 |
SMILES | CACTVS | 3.385 | NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3)n(n1)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N |