Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1 |
InChIKey | InChI | 1.06 | HVVLTSHAUJYILM-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2ccc(cc2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5occc5 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ccc(cc2)N3C[CH](CC3=O)N4CCN(CC4)C(=O)c5occc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F |