Compound Identification
SMILES
COC1=C(OCCCN)C=C2N=CN=C(OC3=C(F)C=C(Br)C=C3)C2=C1
InChIKey
InChIKey=ALCKJSDGBAUUPB-UHFFFAOYSA-N
Formula
C18H17BrFN3O3
Mass
422.254
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
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Subclass
Ethers
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Quinazolines Phenoxy compounds Anisoles Fluorobenzenes Bromobenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organofluorides Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Quinazoline - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Amine - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Not available