Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1 |
InChIKey | InChI | 1.06 | UJSSMRPTIGCTEH-MHECFPHRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N2[C@H](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | C[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c4cccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c4cccc5 |