3TG
Summary
| Name: | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one |
| Formula: | C19 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 290.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one |
| OpenEye OEToolkits | 1.7.2 | 1-imidazol-1-yl-4,4-diphenyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2 |
| InChIKey | InChI | 1.03 | SRAWFXXOZVYZRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3 |
| SMILES | CACTVS | 3.370 | O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3 |
