W8L
Summary
| Name: | 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one |
| Formula: | C16 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 269.726 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-(4-chlorophenyl)-5-methyl-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(C2=Cc1c(cccc1C)C(=O)N2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12ClNO/c1-10-3-2-4-13-14(10)9-15(18-16(13)19)11-5-7-12(17)8-6-11/h2-9H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | CWBRRAZUVHYFCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl |
