ZJ9
Summary
| Name: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
| Formula: | C22 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 391.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | IXWUILRSNIQHDM-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[C@@H]3CCc4ccccc34 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccc(cc1O)c2cc(no2)C(=O)N[C@@H]3CCc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccc(cc1O)c2cc(no2)C(=O)NC3CCc4c3cccc4 |
