Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)C1(N=C(OCC1)N)c3cc(NC(=O)c2ncc(C#N)cc2)ccc3F |
InChI | InChI | 1.03 | InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | ZQBDXEARYNLKKR-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC1=N[C@](CCO1)(C(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F |
SMILES | CACTVS | 3.370 | NC1=N[C](CCO1)(C(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(CCOC(=N3)N)C(F)F)F |