Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c15c(cc(F)cc1)cc(C(N2CC(CCl)c3c4c(ccc23)occ4)=O)n5 |
InChI | InChI | 1.03 | InChI=1S/C20H14ClFN2O2/c21-9-12-10-24(17-3-4-18-14(19(12)17)5-6-26-18)20(25)16-8-11-7-13(22)1-2-15(11)23-16/h1-8,12,23H,9-10H2/t12-/m1/s1 |
InChIKey | InChI | 1.03 | ATYWMISRLWKSNW-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2[nH]c(cc2c1)C(=O)N3C[C@@H](CCl)c4c3ccc5occc45 |
SMILES | CACTVS | 3.385 | Fc1ccc2[nH]c(cc2c1)C(=O)N3C[CH](CCl)c4c3ccc5occc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)cc([nH]2)C(=O)N3CC(c4c3ccc5c4cco5)CCl |