Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1ccc(cc1OC)c4ccc5C(=O)Nc3cccc(OCCN2CCOCC2)c3Nc5c4 |
InChI | InChI | 1.03 | InChI=1S/C26H26N4O6/c1-34-24-16-18(6-8-22(24)30(32)33)17-5-7-19-21(15-17)27-25-20(28-26(19)31)3-2-4-23(25)36-14-11-29-9-12-35-13-10-29/h2-8,15-16,27H,9-14H2,1H3,(H,28,31) |
InChIKey | InChI | 1.03 | FNAOLRABVJJTRC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1[N+]([O-])=O)c2ccc3C(=O)Nc4cccc(OCCN5CCOCC5)c4Nc3c2 |
SMILES | CACTVS | 3.370 | COc1cc(ccc1[N+]([O-])=O)c2ccc3C(=O)Nc4cccc(OCCN5CCOCC5)c4Nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O |