Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H18ClN3O2/c23-18-6-1-2-7-20(18)26-19(10-12-25-26)17-13-15(21(27)14-22(17)28)8-9-16-5-3-4-11-24-16/h1-7,10-14,27-28H,8-9H2 |
InChIKey | InChI | 1.03 | XKWFQNKDUUWEFR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c(cc1CCc2ccccn2)c3ccnn3c4ccccc4Cl |
SMILES | CACTVS | 3.385 | Oc1cc(O)c(cc1CCc2ccccn2)c3ccnn3c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl |