Compound Identification
SMILES
FC1=CN2C[C@H]3CC[C@H](CC3=CC=C2C=C1)C1=NC(=CS1)C1=NC=C(Br)C=N1
InChIKey
InChIKey=GFCGKRSYZHBQKE-HUUCEWRRSA-N
Formula
C21H18BrFN4S
Mass
457.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Halopyrimidines Dihydropyridines Aralkylamines 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Trialkylamines Vinyl fluorides Fluoroalkenes Enamines Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,4-disubstituted 1,3-thiazole - Azepine - Aralkylamine - Dihydropyridine - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Thiazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Enamine - Vinyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available