Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FCCC1CCN(CC1)c1nc2nc3ccccc3n2cc1 |
InChI | InChI | 1.06 | InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2 |
InChIKey | InChI | 1.06 | DWSFKWXDRBTTCG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FCCC1CCN(CC1)c2ccn3c(n2)nc4ccccc34 |
SMILES | CACTVS | 3.385 | FCCC1CCN(CC1)c2ccn3c(n2)nc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2ccc(n3)N4CCC(CC4)CCF |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2ccc(n3)N4CCC(CC4)CCF |