Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C32H36FN5O2/c1-21-16-36(26(15-34-21)18-37-17-24-6-4-5-7-27(24)31(37)40)19-29(39)38-20-32(2,3)30-28(38)13-23(14-35-30)12-22-8-10-25(33)11-9-22/h4-11,13-14,21,26,34H,12,15-20H2,1-3H3/t21-,26-/m1/s1 |
InChIKey | InChI | 1.03 | XYDGOXJJDFKAAT-QFQXNSOFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@H](CN1)CN5Cc6ccccc6C5=O |
SMILES | CACTVS | 3.385 | C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH](CN1)CN5Cc6ccccc6C5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(C(CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C |