A1BCQ
Summary
| Name: | 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one |
| Formula: | C15 H12 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 346.179 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc(cc1)Cc1nc(CN2C=CC=CC2=O)no1 |
| InChI | InChI | 1.06 | InChI=1S/C15H12BrN3O2/c16-12-6-4-11(5-7-12)9-14-17-13(18-21-14)10-19-8-2-1-3-15(19)20/h1-8H,9-10H2 |
| InChIKey | InChI | 1.06 | PXJNDDSPBMJTHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(Cc2onc(CN3C=CC=CC3=O)n2)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(Cc2onc(CN3C=CC=CC3=O)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Cc2nc(no2)CN3C=CC=CC3=O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Cc2nc(no2)CN3C=CC=CC3=O)Br |
