Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | KJMNRTLNVIILOB-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@@H]2CCOc3ccc(Cl)cc23 |
SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2CCOc3ccc(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CCOc3c2cc(cc3)Cl |