Compound Identification
SMILES
C[C@@H](CN1CC(=O)N(C)C2=C(C(Cl)=C(NC(=O)C3=CC=C(C=C3)C(N)=N)C=C2)C1=O)C(O)=O
InChIKey
InChIKey=HCHQXQXWNJXENR-NSHDSACASA-N
Formula
C22H22ClN5O5
Mass
471.9
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 Benzamides Benzoyl derivatives Aryl chlorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Vinylogous halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboximidamide - Azacycle - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - 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