QBB
Summary
| Name: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide |
| Formula: | C16 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 270.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide |
| OpenEye OEToolkits | 1.7.6 | 4-fluoranyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20) |
| InChIKey | InChI | 1.03 | PGZJYUJKVGSJFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)Nc2ccc3CCNCc3c2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)Nc2ccc3CCNCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F |
