Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3c(O)cc(O)c(c1c(cnn1)c2ccc(OCCCN)cc2)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | NCCCOc1ccc(cc1)c2cn[nH]c2c3cc(Cl)c(O)cc3O |
SMILES | CACTVS | 3.341 | NCCCOc1ccc(cc1)c2cn[nH]c2c3cc(Cl)c(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN |
InChI | InChI | 1.03 | InChI=1S/C18H18ClN3O3/c19-15-8-13(16(23)9-17(15)24)18-14(10-21-22-18)11-2-4-12(5-3-11)25-7-1-6-20/h2-5,8-10,23-24H,1,6-7,20H2,(H,21,22) |
InChIKey | InChI | 1.03 | XDDGJOIYZAMLBW-UHFFFAOYSA-N |