Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cnn(C)c1C(=O)Nc1ccn(CC(F)F)n1)N1CCC1 |
InChI | InChI | 1.03 | InChI=1S/C14H16F2N6O2/c1-20-12(9(7-17-20)14(24)21-4-2-5-21)13(23)18-11-3-6-22(19-11)8-10(15)16/h3,6-7,10H,2,4-5,8H2,1H3,(H,18,19,23) |
InChIKey | InChI | 1.03 | OVCHQOHIOZNBKD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(CC(F)F)n3 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3ccn(CC(F)F)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n3)CC(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3ccn(n3)CC(F)F |