4WN
Summary
| Name: | 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C15 H20 N4 |
| Formal charge: | 0 |
| Formula weight: | 256.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2Cc1cccc(c1CN2CCc3nccn3C)N |
| InChI | InChI | 1.03 | InChI=1S/C15H20N4/c1-18-10-7-17-15(18)6-9-19-8-5-12-3-2-4-14(16)13(12)11-19/h2-4,7,10H,5-6,8-9,11,16H2,1H3 |
| InChIKey | InChI | 1.03 | JGJLPCQCNSYHGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1CCN2CCc3cccc(N)c3C2 |
| SMILES | CACTVS | 3.385 | Cn1ccnc1CCN2CCc3cccc(N)c3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1ccnc1CCN2CCc3cccc(c3C2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1ccnc1CCN2CCc3cccc(c3C2)N |
