種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1 |
InChI | InChI | 1.06 | InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23) |
InChIKey | InChI | 1.06 | CEVTZHLIFCWJPO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES | CACTVS | 3.385 | COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4 |