Compound Identification
SMILES
OC(=O)C(F)(F)F.BrC1=CC2=C3N(CCNC2)C=C(C3=C1)C1=C(C(=O)NC1=O)C1=COC2=CC=CC=C12
InChIKey
InChIKey=GQYDHRCRZXBWNI-UHFFFAOYSA-N
Formula
C25H17BrF3N3O5
Mass
576.326
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
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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
Benzofurans Indoles Aralkylamines Maleimides Substituted pyrroles Aryl bromides Benzenoids Alpha-halocarboxylic acids Pyrrolines Dicarboximides Furans Heteroaromatic compounds N-unsubstituted carboxylic acid imides Amino acids and derivatives Dialkylamines Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organobromides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Benzofuran - Indole - Indole or derivatives - Maleimide - Aralkylamine - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid imide - Dicarboximide - Furan - Heteroaromatic compound - Carboxylic acid imide, n-unsubstituted - Pyrrole - Pyrroline - Amino acid or derivatives - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organohalogen compound - Alkyl halide - Alkyl fluoride - Amine - Carbonyl group - Organic oxide - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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