Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O |
InChI | InChI | 1.03 | InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | UUBOMXRWPFJYHC-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O |
SMILES | CACTVS | 3.385 | C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F |