OE6
Summary
| Name: | N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide |
| Formula: | C14 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 286.716 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(benzotriazol-1-yl)-2-(3-chlorophenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20) |
| InChIKey | InChI | 1.06 | OYXJREXTFZDGLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl |
