Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3C(=N\O)/c2c(\C=C\c1ccccc1)cccc2N3Cc5cc(F)cc4c5OCOC4 |
SMILES_CANONICAL | CACTVS | 3.341 | O\N=C1/C(=O)N(Cc2cc(F)cc3COCOc23)c4cccc(\C=C\c5ccccc5)c14 |
SMILES | CACTVS | 3.341 | ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4cccc(C=Cc5ccccc5)c14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=Cc2cccc3c2C(=NO)C(=O)N3Cc4cc(cc5c4OCOC5)F |
InChI | InChI | 1.03 | InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23- |
InChIKey | InChI | 1.03 | DDHASJXGNUWZTM-ZLEWNXFRSA-N |