Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(F)cc1CC(c3ccc(c2cc(C(=O)N)ccc2)cc3)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](Cc1cc(F)ccc1F)c2ccc(cc2)c3cccc(c3)C(N)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1cc(F)ccc1F)c2ccc(cc2)c3cccc(c3)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)N)c2ccc(cc2)C(Cc3cc(ccc3F)F)N |
InChI | InChI | 1.03 | InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | JYKFWUXBFJJDTP-HXUWFJFHSA-N |