NF5
Summary
| Name: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide |
| Formula: | C17 H17 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 345.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide |
| OpenEye OEToolkits | 1.7.6 | 4-bromanyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)C(=O)Nc2cc3c(cc2)CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17BrN2O/c18-15-4-1-13(2-5-15)17(21)20-16-6-3-12-7-9-19-10-8-14(12)11-16/h1-6,11,19H,7-10H2,(H,20,21) |
| InChIKey | InChI | 1.03 | YMOUEQZHQYODQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br |
