Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)OCCN(C)C(=O)C=C |
InChI | InChI | 1.06 | InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-15-4-5-17(21)18(11-15)26-16-9-13(12-22)8-14(20)10-16/h3-5,8-11H,1,6-7H2,2H3 |
InChIKey | InChI | 1.06 | MYJVBQAXXKBPNA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCOc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1)C(=O)C=C |
SMILES | CACTVS | 3.385 | CN(CCOc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1)C(=O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCOc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl)C(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCOc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl)C(=O)C=C |