Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc2c(N1CCCC1)ccc(c2)C3=NOC(C3)CNC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C16H20FN3O2/c1-11(21)18-10-13-9-15(19-22-13)12-4-5-16(14(17)8-12)20-6-2-3-7-20/h4-5,8,13H,2-3,6-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | DTWBPWINMUHOOF-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC[C@@H]1CC(=NO1)c2ccc(N3CCCC3)c(F)c2 |
SMILES | CACTVS | 3.385 | CC(=O)NC[CH]1CC(=NO1)c2ccc(N3CCCC3)c(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCC1CC(=NO1)c2ccc(c(c2)F)N3CCCC3 |