種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(C3)C1)C2 |
InChI | InChI | 1.03 | InChI=1S/C16H18Cl2N2O/c17-12-4-14(19-8-13(12)18)20-15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H,19,20,21)/t9-,10+,11-,16- |
InChIKey | InChI | 1.03 | RBBBMHRIAFVEFR-XMEMTASGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl |
SMILES | CACTVS | 3.385 | Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl |