Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33-/m1/s1 |
InChIKey | InChI | 1.03 | ZMXNWFRGUZJFLG-CZNDPXEESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F |
SMILES | CACTVS | 3.385 | Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[CH](Nc6ccccc6C5=O)c7ccccc7F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5C(Nc6ccccc6C5=O)c7ccccc7F)F |