Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H21N3O5/c32-20-9-6-18(7-10-20)16-28(36-35)27(34)31-24-13-8-19-15-21(33)11-12-22(19)25(24)29-23(26(31)30-28)14-17-4-2-1-3-5-17/h1-13,15,32-33,35H,14,16H2/t28-/m0/s1 |
InChIKey | InChI | 1.03 | ZSLLQPODRCGPLM-NDEPHWFRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OO[C@]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6 |
SMILES | CACTVS | 3.385 | OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=NC(C5=O)(Cc6ccc(cc6)O)OO)O |