Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)C=C |
InChI | InChI | 1.06 | InChI=1S/C18H14Cl2N2O2/c1-2-18(23)22-6-5-12-3-4-16(20)17(9-12)24-15-8-13(11-21)7-14(19)10-15/h2-4,7-10H,1,5-6H2,(H,22,23) |
InChIKey | InChI | 1.06 | NTQXELUQORLKIR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Oc2cc(CCNC(=O)C=C)ccc2Cl)cc(c1)C#N |
SMILES | CACTVS | 3.385 | Clc1cc(Oc2cc(CCNC(=O)C=C)ccc2Cl)cc(c1)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)NCCc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)NCCc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)Cl |