Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)c2nc(nc(n2)Nc3ccc(cc3)CC(N)=O)CC |
InChI | InChI | 1.03 | InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25) |
InChIKey | InChI | 1.03 | GVEYRZKCFLDNIU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(n1)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(n1)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl |