JJY
Summary
| Name: | 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione |
| Formula: | C13 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione |
| OpenEye OEToolkits | 2.0.6 | 2,3,4,5,6,7-hexahydroacridine-1,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CC(c3cc1C(=O)CCCc1nc3C2)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2 |
| InChIKey | InChI | 1.03 | ANTYWKFHKPMJLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCc2nc3CCCC(=O)c3cc12 |
| SMILES | CACTVS | 3.385 | O=C1CCCc2nc3CCCC(=O)c3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(nc3c1C(=O)CCC3)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(nc3c1C(=O)CCC3)CCCC2=O |
