B95
Summary
| Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide |
| Formula: | C17 H16 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 374.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Brc1ccccc1OCC(=O)NCCc2[nH]c3ccccc3n2 |
| SMILES | CACTVS | 3.352 | Brc1ccccc1OCC(=O)NCCc2[nH]c3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br |
| InChI | InChI | 1.03 | InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21) |
| InChIKey | InChI | 1.03 | XWFRNTHGPRGCNS-UHFFFAOYSA-N |
