64F
Summary
| Name: | 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one |
| OpenEye OEToolkits | 2.0.4 | 1-butyl-3~{H}-isochromeno[3,4-c]pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(nnc1OC(c3c2cccc3)=O)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | YKYPXFBQABKRKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES | CACTVS | 3.385 | CCCCc1n[nH]c2OC(=O)c3ccccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
