Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1 |
InChI | InChI | 1.06 | InChI=1S/C18H23F2N3O/c1-23(2)7-6-12-8-13(18(20)16(19)9-12)4-5-14-10-15(24-3)11-17(21)22-14/h8-11H,4-7H2,1-3H3,(H2,21,22) |
InChIKey | InChI | 1.06 | MITAAJQUUVCYOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(N)nc(CCc2cc(CCN(C)C)cc(F)c2F)c1 |
SMILES | CACTVS | 3.385 | COc1cc(N)nc(CCc2cc(CCN(C)C)cc(F)c2F)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)OC |