Compound Identification
SMILES
COC(=O)C[C@@H]1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2
InChIKey
InChIKey=TXEZPMPRUXVPFI-HNNXBMFYSA-N
Formula
C18H14ClFN2O3
Mass
360.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- 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
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Methyl esters Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketimine - Lactam - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Imine - Organofluoride - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available