Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC4(F)CCN(C(=O)C3NCC(N2CCN(c1ncccn1)CC2)C3)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | FC1(F)CCN(C1)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)c4ncccn4 |
SMILES | CACTVS | 3.341 | FC1(F)CCN(C1)C(=O)[CH]2C[CH](CN2)N3CCN(CC3)c4ncccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC(C4)(F)F |
InChI | InChI | 1.03 | InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | QWEWGXUTRTXFRF-KBPBESRZSA-N |