Compound Identification
SMILES
FC1=CC=CC=C1[C@]12OCC[NH+]1CC(=O)NC1=C2C=C(Br)C=C1
InChIKey
InChIKey=XDKCGKQHVBOOHC-QGZVFWFLSA-O
Formula
C17H15BrFN2O2
Mass
378.221
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
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Subclass
1,4-benzodiazepines
- Level 5 1,3-oxazolobenzo-1,4-diazepines
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Subclass
1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,3-oxazolobenzo-1,4-diazepines
Alternative Parents
Alpha amino acids and derivatives Fluorobenzenes Aryl bromides Aryl fluorides Quaternary ammonium salts Oxazolidines Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Amines Organobromides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-oxazolobenzo-1,4-diazepine - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Quaternary ammonium salt - Oxazolidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-oxazolobenzo-1,4-diazepines. These are aromatic heteropolycyclic compounds containing a 1,3-oxazole ring fused to the 1,-4-diazepine moiety of a 1,4-benzodiazepine ring system.
External Descriptors
Not available