RQQ
Summary
| Name: | N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide |
| Formula: | C17 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 293.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-methoxybenzyl)quinoxaline-6-carboxamide |
| OpenEye OEToolkits | 1.9.2 | N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc2nccnc2cc1)NCc3ccc(OC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | CQHKQYSHFWCLKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3 |
