Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1nc3c(c(n1)N2CCCN(C)CC2)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H17F3N4/c1-21-7-4-8-22(10-9-21)13-11-5-2-3-6-12(11)19-14(20-13)15(16,17)18/h2-3,5-6H,4,7-10H2,1H3 |
InChIKey | InChI | 1.03 | VCBLSOZPKMFKJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)c2nc(nc3ccccc23)C(F)(F)F |
SMILES | CACTVS | 3.385 | CN1CCCN(CC1)c2nc(nc3ccccc23)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F |