Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | MTMXPPBZDNZMGK-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | C[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |