F7F
Summary
| Name: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| Formula: | C17 H21 N4 O10 P |
| Formal charge: | 0 |
| Formula weight: | 472.343 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1 |
| InChIKey | InChI | 1.03 | SBINLJVNHAXUDP-YRTJRJKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C@@]34ON4c2cc1C |
| SMILES | CACTVS | 3.385 | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)O)O)O)O |
