Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(CC(Cc1c(cc(F)c(c1)F)F)N)N2CC(NCC2)=O |
InChI | InChI | 1.03 | InChI=1S/C14H16F3N3O2/c15-10-6-12(17)11(16)4-8(10)3-9(18)5-14(22)20-2-1-19-13(21)7-20/h4,6,9H,1-3,5,7,18H2,(H,19,21)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | SLQOQKROMQOJLJ-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)N1CCNC(=O)C1)Cc2cc(F)c(F)cc2F |
SMILES | CACTVS | 3.385 | N[CH](CC(=O)N1CCNC(=O)C1)Cc2cc(F)c(F)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCNC(=O)C2)N |