64E
Summary
| Name: | 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one |
| Formula: | C13 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one |
| OpenEye OEToolkits | 2.0.4 | 1-propyl-3~{H}-isochromeno[3,4-c]pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(nnc1OC(c3c2cccc3)=O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | URRDWILHXUGXPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES | CACTVS | 3.385 | CCCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
