Compound Identification
SMILES
CC1=CN2C(C[N+]([O-])=C(C3=CC=CC=C3F)C3=C2C=CC(Cl)=C3)=N1
InChIKey
InChIKey=JDMUDBTYYYQEEG-UHFFFAOYSA-N
Formula
C18H13ClFN3O
Mass
341.77
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
Fluorobenzenes N-substituted imidazoles Aryl fluorides Aryl chlorides Heteroaromatic compounds Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Nitrone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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