Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27) |
InChIKey | InChI | 1.03 | DFQAJLQXPSPNJE-UHFFFAOYSA-N |
SMILES | ACDLabs | 12.01 | O=C2c5ccccc5N(c1nc(ncc1N2C)Nc3ccc(cc3)N4CCC(O)CC4)C |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CCC(O)CC5)ncc13 |
SMILES | CACTVS | 3.370 | CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CCC(O)CC5)ncc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C |