Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC3CCNCC3)ccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1n(ncc1C(=O)c2cccc(OC3CCNCC3)c2)c4ccc(F)cc4 |
SMILES | CACTVS | 3.341 | Nc1n(ncc1C(=O)c2cccc(OC3CCNCC3)c2)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2 |
InChIKey | InChI | 1.03 | QKZZJXRGCHXIAI-UHFFFAOYSA-N |