| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H35N5O4/c1-31-12-14-32(15-13-31)21-9-7-20(8-10-21)30-27(34)6-4-16-37-26-18-24-23(17-25(26)36-2)28(35)33-11-3-5-22(33)19-29-24/h7-10,17-19,22H,3-6,11-16H2,1-2H3,(H,30,34) |
| InChIKey | InChI | 1.06 | JXQXXIXJPNRKQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCC(=O)Nc4ccc(cc4)N5CCN(C)CC5 |
| SMILES | CACTVS | 3.385 | COc1cc2C(=O)N3CCC[CH]3C=Nc2cc1OCCCC(=O)Nc4ccc(cc4)N5CCN(C)CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCC[C@H]5C=N4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCCC5C=N4 |
