2L1
Summary
| Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline |
| Formula: | C14 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 227.305 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-tetrahydroisoquinoline |
| OpenEye OEToolkits | 1.7.6 | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(nc1)CN3Cc2c(cccc2)CC3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | YMDNLKUYUOOVMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc[nH]c1CN2CCc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | Cc1nc[nH]c1CN2CCc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c([nH]cn1)CN2CCc3ccccc3C2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c([nH]cn1)CN2CCc3ccccc3C2 |
