種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F |
InChI | InChI | 1.06 | InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25) |
InChIKey | InChI | 1.06 | ONQQLMKVMVPYKH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES | CACTVS | 3.385 | Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F |