UH1
Summary
| Name: | 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide |
| Formula: | C14 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-cyanophenyl)-~{N}-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | DSTLUTUEFNLBST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#N)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccc(c1)C#N)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2 |
