Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N=C(CN=C2C1=CC=CC=C1F)NCC#C
InChIKey
InChIKey=DWVSQSAEDBRAPL-UHFFFAOYSA-N
Formula
C18H13FN4O2
Mass
336.326
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
Nitroaromatic compounds Fluorobenzenes Aryl fluorides Imidolactams Ketimines Acetylides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organic zwitterions Organic salts Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Ketimine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Acetylide - Carboxylic acid amidine - Amidine - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organic zwitterion - Organic salt - 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