Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(F)c(cc3)F)=O)C4)F |
InChI | InChI | 1.03 | InChI=1S/C18H15F4N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-13(19)14(20)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1 |
InChIKey | InChI | 1.03 | OBFMVPFVQFWXGP-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc([C@@H]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(F)c3)n4ncnc4n1 |
SMILES | CACTVS | 3.385 | Cc1cc([CH]2CN(CC(F)(F)C2)C(=O)c3ccc(F)c(F)c3)n4ncnc4n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)ncn2)C3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F |