Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24) |
InChIKey | InChI | 1.03 | WRQYTVUHKWFTAU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1 |
SMILES | CACTVS | 3.385 | CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C |