Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N4C=C(NC(C4=NC1(OO)Cc3cc2ccccc2cc3)Cc5ccccc5)c6ccc(O)cc6 |
SMILES_CANONICAL | CACTVS | 3.341 | OO[C@]1(Cc2ccc3ccccc3c2)N=C4[C@H](Cc5ccccc5)NC(=CN4C1=O)c6ccc(O)cc6 |
SMILES | CACTVS | 3.341 | OO[C]1(Cc2ccc3ccccc3c2)N=C4[CH](Cc5ccccc5)NC(=CN4C1=O)c6ccc(O)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC2C3=NC(C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO |
InChI | InChI | 1.03 | InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1 |
InChIKey | InChI | 1.03 | OMOBIXPIGAIKCC-YZNIXAGQSA-N |