| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OCC)CCN1C=2CC(C)(C)CC(=O)C=2C(c2ccc(OCc3ccccc3C3CC3)cc2)n2nnnc12 |
| InChI | InChI | 1.06 | InChI=1S/C31H35N5O4/c1-4-39-27(38)15-16-35-25-17-31(2,3)18-26(37)28(25)29(36-30(35)32-33-34-36)21-11-13-23(14-12-21)40-19-22-7-5-6-8-24(22)20-9-10-20/h5-8,11-14,20,29H,4,9-10,15-19H2,1-3H3/t29-/m1/s1 |
| InChIKey | InChI | 1.06 | YAUUTZDTESJUSO-GDLZYMKVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCN1C2=C([C@H](n3nnnc13)c4ccc(OCc5ccccc5C6CC6)cc4)C(=O)CC(C)(C)C2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCN1C2=C([CH](n3nnnc13)c4ccc(OCc5ccccc5C6CC6)cc4)C(=O)CC(C)(C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCN1c2nnnn2[C@@H](C3=C1CC(CC3=O)(C)C)c4ccc(cc4)OCc5ccccc5C6CC6 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCN1c2nnnn2C(C3=C1CC(CC3=O)(C)C)c4ccc(cc4)OCc5ccccc5C6CC6 |
