Compound Identification
SMILES
FC1=CC=C(C=C1)C1N(CC(=O)NC2=C1C=C(Cl)C=C2)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=PDVJULDXTAHZOS-UHFFFAOYSA-N
Formula
C22H15BrClFN2O2
Mass
473.73
Taxonomic Classification
Taxonomy Tree
-
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
-
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
2-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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