Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1 |
InChIKey | InChI | 1.03 | FBYRCTKKXBIHCM-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCN(C1)c2cc3N(C4CC4)C(=O)c5nccn5c3cc2F |
SMILES | CACTVS | 3.385 | N[CH]1CCN(C1)c2cc3N(C4CC4)C(=O)c5nccn5c3cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CCC(C4)N)F)C5CC5 |