Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccccn1)C1CCN(C1)C(=O)CCc1ccccc1F |
InChI | InChI | 1.03 | InChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | APMPJDBWBVVBBD-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1CCC(=O)N2CC[C@H](C2)C(=O)Nc3ccccn3 |
SMILES | CACTVS | 3.385 | Fc1ccccc1CCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCC(=O)N2CC[C@H](C2)C(=O)Nc3ccccn3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F |