W4H
Summary
| Name: | N-[(1S)-1-cyanopropyl]benzamide |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1S)-1-cyanopropyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1-cyanopropyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C#N)CC)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | UAMIRZPPHTZDMI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)c1ccccc1)C#N |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1ccccc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C#N)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C#N)NC(=O)c1ccccc1 |
