A1IBY
Summary
| Name: | 3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide |
| Formula: | C13 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.692 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17) |
| InChIKey | InChI | 1.06 | YVYDSKIWKFBNOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)C(=O)NCc2ccccn2 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1)C(=O)NCc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNC(=O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNC(=O)c2cccc(c2)Cl |
