Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O |
InChI | InChI | 1.03 | InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | SULYVXZZUMRQAX-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O)C=C4 |
SMILES | CACTVS | 3.385 | Fc1cc(N2C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O)C=C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1conc1NCC2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F |