Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | XLONNNGKPLHXDC-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccncc1NC(=O)[C@@H]2CCOc3ccc(Cl)cc23 |
SMILES | CACTVS | 3.385 | OCc1ccncc1NC(=O)[CH]2CCOc3ccc(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cnccc3CO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cnccc3CO |