Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23) |
InChIKey | InChI | 1.03 | FFIHIYODYIKHMJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 |
SMILES | CACTVS | 3.370 | Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl |