Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl |
SMILES | CACTVS | 3.341 | COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) |
InChIKey | InChI | 1.03 | RRRUXBQSQLKHEL-UHFFFAOYSA-N |