Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1NC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Br)=C2
InChIKey
InChIKey=MVGMGBJOQDWLGU-UHFFFAOYSA-N
Formula
C21H14BrClN4O3
Mass
485.72
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 Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl bromides Aryl chlorides Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Lactam - Ketimine - Carboxamide group - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Imine - Amine - Organic nitrogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic oxide - 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