NVO
Summary
| Name: | 2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide |
| Formula: | C16 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 297.739 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-phthalazin-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1nncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21) |
| InChIKey | InChI | 1.06 | ATNZGZHLHMEMFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl |
