Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1OC)NC(=O)Cn4ncc2c4c3c(OC2=O)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24) |
InChIKey | InChI | 1.03 | DJHSRZJOSYWGCG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl |
SMILES | CACTVS | 3.385 | COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4 |