Compound Identification
SMILES
OC(=O)CC1N=C(C2=CC(O)=CC=C2)C2=C(C=C(Cl)C=C2)N(CC2CC2)C1=O
InChIKey
InChIKey=DMQWPXLVMBMJCF-UHFFFAOYSA-N
Formula
C21H19ClN2O4
Mass
398.84
Taxonomic Classification
Taxonomy Tree
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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
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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
Alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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