Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c(F)c(c2ccc(C1C(CF)NC1C#N)cc2)c(cc3C)F |
InChI | InChI | 1.03 | InChI=1S/C18H15F3N2/c1-10-6-13(20)17(14(21)7-10)11-2-4-12(5-3-11)18-15(8-19)23-16(18)9-22/h2-7,15-16,18,23H,8H2,1H3/t15-,16-,18+/m0/s1 |
InChIKey | InChI | 1.03 | OZFKPHFHTNQIQS-XYJFISCASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(F)c(c(F)c1)c2ccc(cc2)[C@@H]3[C@H](CF)N[C@H]3C#N |
SMILES | CACTVS | 3.385 | Cc1cc(F)c(c(F)c1)c2ccc(cc2)[CH]3[CH](CF)N[CH]3C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1)F)c2ccc(cc2)C3C(NC3C#N)CF)F |