582
Summary
| Name: | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE |
| Formula: | C13 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one |
| OpenEye OEToolkits | 1.5.0 | 5-ethyl-3-methyl-1H-pyrazolo[4,5-c]quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N(c1c(cccc1)c3c2c(nn3)C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN1C(=O)c2c(C)n[nH]c2c3ccccc13 |
| SMILES | CACTVS | 3.341 | CCN1C(=O)c2c(C)n[nH]c2c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | ASEHARDUZDZEKS-UHFFFAOYSA-N |
