Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(c1ccc(C(=O)NC)nc1)cnc(c(c2CC)c3ccc(cc3)O)N |
InChI | InChI | 1.03 | InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26) |
InChIKey | InChI | 1.03 | UCYSSYGGXOFJKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O)NC |
SMILES | CACTVS | 3.385 | CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O)NC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC |