Compound Identification
SMILES
CNCC1=CN=C2CN=C(C3=C(N12)C(=CC=C3)C(F)(F)F)C1=C(F)C=CC=C1F
InChIKey
InChIKey=MONOYZHFEDQKIB-UHFFFAOYSA-N
Formula
C20H15F5N4
Mass
406.36
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
Fluorobenzenes Aralkylamines N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Ketimine - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Imine - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - 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