H75
Summary
| Name: | 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one |
| Formula: | C13 H13 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 293.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)N2C=C3N(C2=O)CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H13BrN2O/c14-10-4-6-11(7-5-10)16-9-12-3-1-2-8-15(12)13(16)17/h4-7,9H,1-3,8H2 |
| InChIKey | InChI | 1.03 | GFAHDFVNRDEGGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)N2C=C3CCCCN3C2=O |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)N2C=C3CCCCN3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2C=C3CCCCN3C2=O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2C=C3CCCCN3C2=O)Br |
