Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1 |
InChIKey | InChI | 1.06 | XCYDEVNRWFWHLA-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)NC[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | COC(=O)NC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |