Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3cc(c2c(c1cc(Cl)cc(Cl)c1)cnn2)cn3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H16Cl2N4O2/c19-13-5-11(6-14(20)8-13)15-10-22-23-17(15)12-7-16(21-9-12)18(25)24-1-3-26-4-2-24/h5-10,21H,1-4H2,(H,22,23) |
InChIKey | InChI | 1.03 | BLRDCIBLWJFEDC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1cc(Cl)cc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)N4CCOCC4 |
SMILES | CACTVS | 3.370 | Clc1cc(Cl)cc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4 |