Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2CCN(C(=O)c1cc(F)ccc1F)CC2)C(N)Cc3cccc(Cl)c3 |
InChI | InChI | 1.03 | InChI=1S/C20H20ClF2N3O2/c21-14-3-1-2-13(10-14)11-18(24)20(28)26-8-6-25(7-9-26)19(27)16-12-15(22)4-5-17(16)23/h1-5,10,12,18H,6-9,11,24H2/t18-/m1/s1 |
InChIKey | InChI | 1.03 | NASCAWUSOSJBJH-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](Cc1cccc(Cl)c1)C(=O)N2CCN(CC2)C(=O)c3cc(F)ccc3F |
SMILES | CACTVS | 3.370 | N[CH](Cc1cccc(Cl)c1)C(=O)N2CCN(CC2)C(=O)c3cc(F)ccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)Cl)CC(C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N |