Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26) |
InChIKey | InChI | 1.06 | VYSGGLIOFYGQHG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 |
SMILES | CACTVS | 3.385 | NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3)Cl)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3)Cl)Cl |