Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29) |
InChIKey | InChI | 1.06 | IGBISIGCTJJXOY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Oc2ccncc2)C(C)C)NC(=O)c3c4ccccn4nc3O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Oc2ccncc2)C(C)C)NC(=O)c3c4ccccn4nc3O |