Compound Identification
SMILES
CC(C)(C)C(=O)OC1CNC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=QAQXLRGFXFLNNY-UHFFFAOYSA-N
Formula
C20H21ClN2O2
Mass
356.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
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 Benzene and substituted derivatives Aryl chlorides Ketimines Carboxylic acid esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organochloride - Imine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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