2L2
Summary
| Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C14 H18 N4 |
| Formal charge: | 0 |
| Formula weight: | 242.32 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.7.6 | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | IMWCZDDKZOUUNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc[nH]c1CN2CCc3cccc(N)c3C2 |
| SMILES | CACTVS | 3.385 | Cc1nc[nH]c1CN2CCc3cccc(N)c3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N |
