Compound Identification
SMILES
COC1=CC=C(C=C2NC(C3=CC=CC=C3Cl)=C3C=C(Br)C=CC3=NC2=O)C=C1
InChIKey
InChIKey=FUZMLJSUJYDCLX-UHFFFAOYSA-N
Formula
C23H16BrClN2O2
Mass
467.75
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides N-acylimines Enamines Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-acylimine - Carboxylic acid derivative - Azacycle - Ether - Enamine - Secondary aliphatic amine - Organobromide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen 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