種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1 |
InChI | InChI | 1.06 | InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24) |
InChIKey | InChI | 1.06 | MLWZGJVGRRIOOY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3 |
SMILES | CACTVS | 3.385 | Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3 |