Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(OCC2CCN(C(=O)CCC1CCC(N1)=O)CC2)c(Cl)cc(cc3)F |
InChI | InChI | 1.03 | InChI=1S/C19H24ClFN2O3/c20-16-11-14(21)1-4-17(16)26-12-13-7-9-23(10-8-13)19(25)6-3-15-2-5-18(24)22-15/h1,4,11,13,15H,2-3,5-10,12H2,(H,22,24)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | AKWBGFHQJGRBNZ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3)c(Cl)c1 |
SMILES | CACTVS | 3.385 | Fc1ccc(OCC2CCN(CC2)C(=O)CC[CH]3CCC(=O)N3)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CCC3CCC(=O)N3 |