A1AUM
Summary
| Name: | 1'-acetyl-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one |
| Formula: | C14 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1'-acetyl-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one |
| OpenEye OEToolkits | 2.0.7 | 4-ethanoylspiro[1~{H}-quinoxaline-3,1'-cyclopentane]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)N1c2ccccc2NC(=O)C21CCCC2 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O2/c1-10(17)16-12-7-3-2-6-11(12)15-13(18)14(16)8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.06 | BKKRWWKJFGAWGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1c2ccccc2NC(=O)C13CCCC3 |
| SMILES | CACTVS | 3.385 | CC(=O)N1c2ccccc2NC(=O)C13CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1c2ccccc2NC(=O)C13CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1c2ccccc2NC(=O)C13CCCC3 |
