Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O2/c1-4-17-19(14(3)24)13(2)23-20(17)21(25)22-12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,23H,4,12H2,1-3H3,(H,22,25) |
InChIKey | InChI | 1.03 | PDRFAPMZSRHWMA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23 |
SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C |