GY3
Summary
| Name: | 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione |
| Formula: | C18 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 314.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione |
| OpenEye OEToolkits | 1.7.0 | 8-(2-ethenyl-6-ethyl-4-methyl-phenyl)-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N3N(C(=O)C2c1c(\C=C)cc(cc1CC)C)CCOCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1cc(C)cc(C=C)c1C2C(=O)N3CCOCCN3C2=O |
| SMILES | CACTVS | 3.370 | CCc1cc(C)cc(C=C)c1C2C(=O)N3CCOCCN3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H22N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h4,10-11,16H,1,5-9H2,2-3H3 |
| InChIKey | InChI | 1.03 | CYYDMVKNZPACLF-UHFFFAOYSA-N |
