4XC
Summary
| Name: | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide |
| Formula: | C13 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 233.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide |
| OpenEye OEToolkits | 1.9.2 | 3-(8-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCC(NC)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3O/c1-15-13(17)6-8-16-7-5-10-3-2-4-12(14)11(10)9-16/h2-4H,5-9,14H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | RZXHZFVCPWDPAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CCN1CCc2cccc(N)c2C1 |
| SMILES | CACTVS | 3.385 | CNC(=O)CCN1CCc2cccc(N)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)CCN1CCc2cccc(c2C1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)CCN1CCc2cccc(c2C1)N |
