種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccccn1)C1CCN(C1)C(=O)COc1ccccc1F |
InChI | InChI | 1.03 | InChI=1S/C18H18FN3O3/c19-14-5-1-2-6-15(14)25-12-17(23)22-10-8-13(11-22)18(24)21-16-7-3-4-9-20-16/h1-7,9,13H,8,10-12H2,(H,20,21,24)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | DDCJGHSYQAZZSQ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1OCC(=O)N2CC[C@@H](C2)C(=O)Nc3ccccn3 |
SMILES | CACTVS | 3.385 | Fc1ccccc1OCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC(=O)N2CC[C@@H](C2)C(=O)Nc3ccccn3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F |