A1DOU
Summary
| Name: | N-(3-chlorophenyl)-3-(2H-1,2,3-triazol-2-yl)azetidine-1-carboxamide |
| Formula: | C12 H12 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 277.71 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(3-chlorophenyl)-3-(2H-1,2,3-triazol-2-yl)azetidine-1-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(3-chlorophenyl)-3-(1,2,3-triazol-2-yl)azetidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cccc(c1)NC(=O)N1CC(C1)n1nccn1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12ClN5O/c13-9-2-1-3-10(6-9)16-12(19)17-7-11(8-17)18-14-4-5-15-18/h1-6,11H,7-8H2,(H,16,19) |
| InChIKey | InChI | 1.06 | MNMIGFCSEWGAED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)N2CC(C2)n3nccn3)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)N2CC(C2)n3nccn3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)NC(=O)N2CC(C2)n3nccn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)NC(=O)N2CC(C2)n3nccn3 |
