TIV
Summary
| Name: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione |
| Synonyms: | Tivantinib |
| Formula: | C23 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 369.416 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/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | UCEQXRCJXIVODC-PMACEKPBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)[CH]([CH]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)c(c[nH]2)C3C(C(=O)NC3=O)c4cn5c6c4cccc6CCC5 |
