Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3ccc(cc3)F)=O)C4)F |
InChI | InChI | 1.03 | InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | IWFCNIDUKUQMFM-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc([C@@H]2CN(CC(F)(F)C2)C(=O)c3ccc(F)cc3)n4ncnc4n1 |
SMILES | CACTVS | 3.385 | Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)cc3)n4ncnc4n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F |