D7T
Summary
| Name: | 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone |
| Formula: | C18 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 280.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O/c1-14-6-5-7-16(12-14)13-19-10-11-20(15(2)21)18-9-4-3-8-17(18)19/h3-9,12H,10-11,13H2,1-2H3 |
| InChIKey | InChI | 1.03 | GJDUNGUDLCUYKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(Cc2cccc(C)c2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(Cc2cccc(C)c2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C |
