SNJ
Summary
| Name: | 2,5-diphenyl-4~{H}-pyrazol-3-one |
| Formula: | C15 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 236.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,5-diphenyl-4~{H}-pyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | InChI | 1.03 | MZKALFCNIJHTJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC(=NN1c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C1CC(=NN1c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3 |
