NGJ
Summary
| Name: | 5-amino-3-ethylisoquinolin-1(2H)-one |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-ethylisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-3-ethyl-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2cccc(c2C=C(N1)CC)N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | RCAAJXYONDUGJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=Cc2c(N)cccc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CCC1=Cc2c(N)cccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC1=Cc2c(cccc2N)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1=Cc2c(cccc2N)C(=O)N1 |
