Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4cc(OC3CCCC3)ccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3cccc(OC4CCCC4)c3 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3cccc(OC4CCCC4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27) |
InChIKey | InChI | 1.03 | FWTQOPWAMQXIMI-UHFFFAOYSA-N |