Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C |
InChI | InChI | 1.06 | InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26) |
InChIKey | InChI | 1.06 | XNJZKRXHKUJCAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
SMILES | CACTVS | 3.385 | CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCOc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCOc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |