Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(F)c1Cc1cnc(Nc2cc(Cl)c(C#N)cc2)o1 |
InChI | InChI | 1.03 | InChI=1S/C17H10ClF2N3O/c18-14-6-11(5-4-10(14)8-21)23-17-22-9-12(24-17)7-13-15(19)2-1-3-16(13)20/h1-6,9H,7H2,(H,22,23) |
InChIKey | InChI | 1.03 | XMNGPECGUKASMW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(F)c1Cc2oc(Nc3ccc(C#N)c(Cl)c3)nc2 |
SMILES | CACTVS | 3.385 | Fc1cccc(F)c1Cc2oc(Nc3ccc(C#N)c(Cl)c3)nc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C#N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C#N)F |