Compound Identification
SMILES
[Cl-].[Cl-].CC[NH+](CC)CCCN1C2=C(C=C(Cl)C=C2)C([NH2+]CC1=O)C1=CC=CC=C1F
InChIKey
InChIKey=QEUKBYHCAKPCFT-UHFFFAOYSA-N
Formula
C22H29Cl3FN3O
Mass
476.84
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
Alpha amino acids and derivatives Aralkylamines Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Dialkylamines Organic oxides Organofluorides Carbonyl compounds Organopnictogen compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic chloride salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organic chloride salt - Organochloride - Organofluoride - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic salt - Organic oxygen 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