Compound Identification
SMILES
CN1CCN=C(\C=C\C2=C(SCC3=CC=CC=C3)C=CC(=C2)[N+]([O-])=O)C2=C1C=C(F)C=C2
InChIKey
InChIKey=NYRMSRIFGYJGNO-YRNVUSSQSA-N
Formula
C25H22FN3O2S
Mass
447.53
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
Nitrobenzenes Thiophenol ethers Styrenes Dialkylarylamines Nitroaromatic compounds Alkylarylthioethers Aryl fluorides Ketimines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Nitrobenzene - Styrene - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Organic nitro compound - Ketimine - C-nitro compound - Tertiary amine - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Imine - Amine - Organic cation - 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