Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1 |
InChI | InChI | 1.03 | InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m1/s1 |
InChIKey | InChI | 1.03 | VYMLCXOMLAPNOR-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1)C(F)(F)F |
SMILES | CACTVS | 3.385 | C[CH](c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C(F)(F)F |