Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.NCC1CN=C(C2=CC=CC=C2F)C2=C(N1)C=CC(Cl)=C2
InChIKey
InChIKey=LYSTWDNEOGELCU-SPIKMXEPSA-N
Formula
C24H23ClFN3O8
Mass
535.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Secondary alkylarylamines Fluorobenzenes Unsaturated fatty acids Aryl chlorides Aryl fluorides Dicarboxylic acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organochlorides Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Ketimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Primary aliphatic amine - Hydrocarbon derivative - Imine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - 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