Compound Identification
SMILES
CC1=NC=C2CN3CCN(CC4=C(Br)C=CC(OC5=C(C=CC(CN12)=C5)C#N)=C4)C(=O)C3
InChIKey
InChIKey=JHRVVEXICWNUGR-UHFFFAOYSA-N
Formula
C24H22BrN5O2
Mass
492.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
-
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
Alpha amino acids and derivatives Aralkylamines N-alkylpiperazines Aryl bromides Benzenoids N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Nitriles Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Alpha-amino acid or derivatives - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Benzenoid - N-substituted imidazole - Piperazine - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Carbonitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Nitrile - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Cyanide - 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