V7C
Summary
| Name: | N-[(2R)-2-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-[(2R)-2-cyanopropyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R})-2-cyanopropyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(C)C#N)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | AWGRQXJTSPUZDZ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CNC(=O)c1ccccc1)C#N |
| SMILES | CACTVS | 3.385 | C[CH](CNC(=O)c1ccccc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CNC(=O)c1ccccc1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNC(=O)c1ccccc1)C#N |
