R7X
Summary
| Name: | 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide |
| Formula: | C20 H20 Br N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 430.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-(6-bromanylpyridin-2-yl)-1-[2-(3-ethanoylphenyl)ethanoyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | QSBZTVCVCZZWLK-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cccc(CC(=O)N2CCC[C@H]2C(=O)Nc3cccc(Br)n3)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cccc(CC(=O)N2CCC[CH]2C(=O)Nc3cccc(Br)n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)CC(=O)N2CCC[C@H]2C(=O)Nc3cccc(n3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)CC(=O)N2CCCC2C(=O)Nc3cccc(n3)Br |
