R4E
Summary
| Name: | 5-amino-3-pentylisoquinolin-1(2H)-one |
| Formula: | C14 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 230.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-pentylisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-3-pentyl-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2cccc(c2C=C(N1)CCCCC)N |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O/c1-2-3-4-6-10-9-12-11(14(17)16-10)7-5-8-13(12)15/h5,7-9H,2-4,6,15H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | LHCBLZMUDUKRFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC1=Cc2c(N)cccc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CCCCCC1=Cc2c(N)cccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC1=Cc2c(cccc2N)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC1=Cc2c(cccc2N)C(=O)N1 |
