Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1N(CCCCC1)c4n2c(c(cn2)c3ccc(cc3)F)nc(c4)CC |
InChI | InChI | 1.03 | InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3 |
InChIKey | InChI | 1.03 | BQIPJVLJUIILIA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1 |
SMILES | CACTVS | 3.385 | CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 |