Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)Cc4cc1c(Nc3c(C(=O)N1)ccc(Nc2ccncc2)c3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27) |
InChIKey | InChI | 1.03 | UHXSMHRHMWNZNO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1 |
SMILES | CACTVS | 3.370 | COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4 |