1UT
Summary
| Name: | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one |
| Formula: | C17 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 265.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-[4-(dimethylamino)phenyl]chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2ccc(N(C)C)cc2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3 |
| InChIKey | InChI | 1.03 | PCKPYMMHFFXBPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
