A1EUN
Summary
| Name: | (3S)-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione |
| Formula: | C24 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 415.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H21N3O4/c1-30-18-5-2-15(3-6-18)12-27-13-17(11-25-27)16-4-7-19-21(14-31-22(19)10-16)20-8-9-23(28)26-24(20)29/h2-7,10-11,13-14,20H,8-9,12H2,1H3,(H,26,28,29)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | JDTIPDAGINDDME-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2cc(cn2)c3ccc4c(occ4[C@@H]5CCC(=O)NC5=O)c3)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cn2cc(cn2)c3ccc4c(occ4[CH]5CCC(=O)NC5=O)c3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2cc(cn2)c3ccc4c(c3)occ4[C@@H]5CCC(=O)NC5=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2cc(cn2)c3ccc4c(c3)occ4C5CCC(=O)NC5=O |
