Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(Cl)nc(N)n1)NCc3ccc(Br)c(Oc2cc(C#N)cc(Cl)c2)c3F |
InChI | InChI | 1.03 | InChI=1S/C18H11BrCl2FN5O2/c19-12-2-1-9(7-25-17(28)14-16(21)27-18(24)26-14)13(22)15(12)29-11-4-8(6-23)3-10(20)5-11/h1-5H,7H2,(H,25,28)(H3,24,26,27) |
InChIKey | InChI | 1.03 | IZRLYEGHBQTAFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]c(c(Cl)n1)C(=O)NCc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F |
SMILES | CACTVS | 3.385 | Nc1[nH]c(c(Cl)n1)C(=O)NCc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br |