Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H20Cl2N4/c1-12-13(11-25-7-5-22-6-8-25)9-17-19(24-12)15(10-23-17)14-3-2-4-16(20)18(14)21/h2-4,9-10,22-23H,5-8,11H2,1H3 |
InChIKey | InChI | 1.06 | SSRQTWWMQTYMFK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2c([nH]cc2c3cccc(Cl)c3Cl)cc1CN4CCNCC4 |
SMILES | CACTVS | 3.385 | Cc1nc2c([nH]cc2c3cccc(Cl)c3Cl)cc1CN4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2c(n1)c(c[nH]2)c3cccc(c3Cl)Cl)CN4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2c(n1)c(c[nH]2)c3cccc(c3Cl)Cl)CN4CCNCC4 |