Compound Identification
SMILES
CCN1CCN(CC2=CC3=C(OC4=NC=NC(NC5=C(F)C=C(Br)C=C5)=C4N=C3)C=C2)CC1
InChIKey
InChIKey=HRCGZRULSDJXII-UHFFFAOYSA-N
Formula
C24H24BrFN6O
Mass
511.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Diarylethers Aniline and substituted anilines Aminopyrimidines and derivatives Aralkylamines Bromobenzenes N-alkylpiperazines Fluorobenzenes Aryl bromides Aryl fluorides Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Imines Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Benzoxazepine - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - N-alkylpiperazine - Bromobenzene - Aralkylamine - Aryl bromide - Aryl fluoride - 1,4-diazinane - Imidolactam - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Piperazine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organofluoride - Organobromide - Imine - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available