Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H20N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-13,18,28H,1-2H3,(H,24,25,26)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | XYYZSCWSVMFLOM-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C(=O)N([C@H]2C=Cc3c(O)cccc23)c4nc(Nc5ccccc5)ncc14 |
SMILES | CACTVS | 3.385 | CC1(C)C(=O)N([CH]2C=Cc3c(O)cccc23)c4nc(Nc5ccccc5)ncc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C |
SMILES | OpenEye OEToolkits | 2.0.5 | CC1(c2cnc(nc2N(C1=O)C3C=Cc4c3cccc4O)Nc5ccccc5)C |