Compound Identification
SMILES
COC(=O)CC[C@@H]1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N2C(C)=CN=C12
InChIKey
InChIKey=GCVWKECVGWHUEU-SFHVURJKSA-N
Formula
C22H19ClFN3O2
Mass
411.86
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
Fatty acid esters Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Methyl esters Ketimines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl chloride - Aryl fluoride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Azole - Imidazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Ketimine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Imine - Organochloride - Hydrocarbon derivative - 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