Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F |
InChI | InChI | 1.03 | InChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | IURDZXWYYGBBOU-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C[C@H](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2c(c[nH]n2)C(=O)N[C@@H](CC(=O)N)c3cccc(c3)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2c(c[nH]n2)C(=O)NC(CC(=O)N)c3cccc(c3)Cl)F |