Compound Identification
SMILES
CC1N=C(C2=CC=CC=C2Cl)C2=C(C=CC(NC(=O)NCCO)=C2Br)N(C)C1=O
InChIKey
InChIKey=YZJUIBJVSMRPRX-UHFFFAOYSA-N
Formula
C20H20BrClN4O3
Mass
479.76
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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 Chlorobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Ureas Ketimines Lactams Alkanolamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Primary alcohols Organochlorides Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Ketimine - Lactam - Carboxamide group - Urea - Carboxylic acid derivative - Alkanolamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Alcohol - Imine - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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