Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C(CCN(C1)C(=O)c2ccc(c(c2)OC)Nc3nc5c(cn3)N(C(=O)c4c(cccc4)N5C6CCC6)C)N7CCN(C)CC7 |
InChI | InChI | 1.03 | InChI=1S/C34H42N8O3/c1-38-17-19-40(20-18-38)24-13-15-41(16-14-24)32(43)23-11-12-27(30(21-23)45-3)36-34-35-22-29-31(37-34)42(25-7-6-8-25)28-10-5-4-9-26(28)33(44)39(29)2/h4-5,9-12,21-22,24-25H,6-8,13-20H2,1-3H3,(H,35,36,37) |
InChIKey | InChI | 1.03 | BPXUPQRJNWPFQU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7 |