Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc(cc1)C(=O)N2CCC3(CC2)Nc4cccc(F)c4C(=N3)N |
SMILES | CACTVS | 3.341 | NCc1ccc(cc1)C(=O)N2CCC3(CC2)Nc4cccc(F)c4C(=N3)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N |
InChI | InChI | 1.03 | InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25) |
InChIKey | InChI | 1.03 | SFPCNWQWKOUNRT-UHFFFAOYSA-N |