Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28) |
InChIKey | InChI | 1.06 | GCZJCDQGYPXFCY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)c2noc(n2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)c2noc(n2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)c2nc(on2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)c2nc(on2)C(=O)NCCc3ccc(cc3)C(=O)N4CCC4 |