Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H23N5O4/c1-4-28-13-15(12-26-28)9-22(29)27-16-5-7-17(8-6-16)32-23-18-10-20(30-2)21(31-3)11-19(18)24-14-25-23/h5-8,10-14H,4,9H2,1-3H3,(H,27,29) |
InChIKey | InChI | 1.03 | LQRLWWAVCUCERB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1 |
SMILES | CACTVS | 3.385 | CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC |