Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1F)OCCC2C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1 |
InChIKey | InChI | 1.06 | NNQIVNFMEXUPCH-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2OCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl |
SMILES | CACTVS | 3.385 | Fc1cc2OCC[CH](C(=O)Nc3cncc4ccccc34)c2cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)F)Cl |