種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25) |
InChIKey | InChI | 1.06 | GCADPMUYKNHGSM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3 |
SMILES | CACTVS | 3.385 | Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3 |