64C
Summary
| Name: | 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one |
| Formula: | C12 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 214.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one |
| OpenEye OEToolkits | 2.0.4 | 1-ethyl-3~{H}-isochromeno[3,4-c]pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21c(nnc1OC(c3c2cccc3)=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | MKAQORNERCMQLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES | CACTVS | 3.385 | CCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
