Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25) |
InChIKey | InChI | 1.03 | RJPKXYNMTYJNMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 |