Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)n1c2ccc(cc2c3c4C=NC(=O)c4c5c(CCc6nn(C)cc56)c13)[C@@H]7CCCCO7 |
SMILES | CACTVS | 3.352 | CC(C)n1c2ccc(cc2c3c4C=NC(=O)c4c5c(CCc6nn(C)cc56)c13)[CH]7CCCCO7 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7 |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)C7CCCCO7 |
InChI | InChI | 1.03 | InChI=1S/C28H28N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12-15,23H,4-6,8-9,11H2,1-3H3/t23-/m0/s1 |
InChIKey | InChI | 1.03 | JPKZOLAMWIKKME-QHCPKHFHSA-N |