A1EAB
Summary
| Name: | 2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide |
| Formula: | C16 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 254.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-cyanophenyl)methyl]-5,5-dimethyl-hexa-2,3-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | OISKZRHWMMCOBF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[CH]=[C@]=[C](Cc1cccc(c1)C#N)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH]=[C]=[C](Cc1cccc(c1)C#N)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C=C=C(Cc1cccc(c1)C#N)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C=C=C(Cc1cccc(c1)C#N)C(=O)N |
