Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2CCN(c1ccc(F)cc1)CC2)C4CCCCC4C(=O)NC3(C#N)CC3 |
InChI | InChI | 1.03 | InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1 |
InChIKey | InChI | 1.03 | GHDIYQHGVKVLJX-RTBURBONSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N |
SMILES | CACTVS | 3.370 | Fc1ccc(cc1)N2CCN(CC2)C(=O)[CH]3CCCC[CH]3C(=O)NC4(CC4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2CCN(CC2)C(=O)C3CCCCC3C(=O)NC4(CC4)C#N)F |