Compound Identification
SMILES
COC1=CC=C(NC2=NC3=C(C=C(Cl)C=C3)C(=NC2)C2=CC=CC=C2F)C=C1
InChIKey
InChIKey=OBZMWEIYWROIBQ-UHFFFAOYSA-N
Formula
C22H17ClFN3O
Mass
393.85
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
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Ketimines Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Amines Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid amidine - Azacycle - Ether - Organofluoride - Hydrocarbon derivative - Imine - Organic oxygen compound - Amine - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organochloride - 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