A1I33
Summary
| Name: | 2-chloranyl-~{N}-(1-oxidanylidene-2~{H}-isoquinolin-7-yl)ethanamide |
| Formula: | C11 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.654 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-(1-oxidanylidene-2~{H}-isoquinolin-7-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClN2O2/c12-6-10(15)14-8-2-1-7-3-4-13-11(16)9(7)5-8/h1-5H,6H2,(H,13,16)(H,14,15) |
| InChIKey | InChI | 1.06 | CNQKHKKYWFUYKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)Nc1ccc2C=CNC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | ClCC(=O)Nc1ccc2C=CNC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1NC(=O)CCl)C(=O)NC=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1NC(=O)CCl)C(=O)NC=C2 |
