RHY
Summary
| Name: | 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one |
| Formula: | C12 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 233.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4 |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O2/c1-7(16)15-4-8-2-10-11-9(13-6-14-11)3-12(8,5-15)17-10/h6,8,10H,2-5H2,1H3,(H,13,14)/t8-,10-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | FORSPVAMISDLIE-PTOFAABTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C1)Cc4[nH]cnc34 |
| SMILES | CACTVS | 3.385 | CC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3 |
