Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C)N3c1ccc(cc1N=C(c2c3ccc(Cl)c2)N4CCN(C)CC4)F |
InChI | InChI | 1.03 | InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3 |
InChIKey | InChI | 1.03 | NQBRFDSRSGHBBK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1c2ccc(F)cc2N=C(N3CCN(C)CC3)c4cc(Cl)ccc14 |
SMILES | CACTVS | 3.385 | CCN1c2ccc(F)cc2N=C(N3CCN(C)CC3)c4cc(Cl)ccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl |