Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(n1c(c(cn1)c2ccc(cc2)F)nc(C)c3)N4CCCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H21FN4/c1-14-12-18(23-10-4-2-3-5-11-23)24-19(22-14)17(13-21-24)15-6-8-16(20)9-7-15/h6-9,12-13H,2-5,10-11H2,1H3 |
InChIKey | InChI | 1.03 | MWBKFQJPGCZDRF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1 |
SMILES | CACTVS | 3.385 | Cc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 |