Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(C)c2N(C1CC1)C(=O)C(=C(c2cc(c3N5CC4CC4(C5)N)F)CN)F |
InChI | InChI | 1.03 | InChI=1S/C19H22F2N4O/c1-9-16-12(13(6-22)15(21)18(26)25(16)11-2-3-11)4-14(20)17(9)24-7-10-5-19(10,23)8-24/h4,10-11H,2-3,5-8,22-23H2,1H3/t10-,19-/m1/s1 |
InChIKey | InChI | 1.03 | LZLLPIGCIXMSRM-GIGQVBGESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N2C[C@H]3C[C@@]3(N)C2)c(F)cc4C(=C(F)C(=O)N(C5CC5)c14)CN |
SMILES | CACTVS | 3.385 | Cc1c(N2C[CH]3C[C]3(N)C2)c(F)cc4C(=C(F)C(=O)N(C5CC5)c14)CN |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(cc(c1N3CC4CC4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN |