A1AVV
Summary
| Name: | N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide |
| Formula: | C16 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 250.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[2-(3-aminophenyl)ethynyl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.06 | GDYCMPAYKROXHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N |
