Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28) |
InChIKey | InChI | 1.03 | UDMIRQWCOXFLHS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14 |
SMILES | CACTVS | 3.385 | CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O |