Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | BWTWLKMAKBVNDU-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccncc1NC(=O)[C@@H]2COc3ccc(Cl)cc23 |
SMILES | CACTVS | 3.385 | OCc1ccncc1NC(=O)[CH]2COc3ccc(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)[C@@H](CO2)C(=O)Nc3cnccc3CO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)C(CO2)C(=O)Nc3cnccc3CO |