Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3cc(ccc3Oc2c(O)cc(c1ncccc1)cc2)CN |
SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1 |
SMILES | CACTVS | 3.341 | NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H,11,20H2 |
InChIKey | InChI | 1.03 | ANDLXIQDWFGHEE-UHFFFAOYSA-N |