3Z8
Summary
| Name: | 7-chloro-3,4-dihydroisoquinolin-1(2H)-one |
| Formula: | C9 H8 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 181.619 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-chloro-3,4-dihydroisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.9.2 | 7-chloranyl-3,4-dihydro-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc1c(C(=O)NCC1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | NMZRTRAYSHQMPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2CCNC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2CCNC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)C(=O)NCC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)C(=O)NCC2 |
