Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1cccc(CCc2cc(CCN(C)C)cc(F)c2F)n1 |
InChI | InChI | 1.06 | InChI=1S/C17H21F2N3/c1-22(2)9-8-12-10-13(17(19)15(18)11-12)6-7-14-4-3-5-16(20)21-14/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21) |
InChIKey | InChI | 1.06 | BZYINMFJDLIFGN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1 |
SMILES | CACTVS | 3.385 | CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N |