Compound Identification
SMILES
CCN(CC)C1=CC=C(C=NNC(=O)COC2=C(Br)C=C(C=C2)C(C)C)C=C1
InChIKey
InChIKey=XCSHJSFFACMJQH-UHFFFAOYSA-N
Formula
C22H28BrN3O2
Mass
446.389
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers Dialkylarylamines Aniline and substituted anilines Bromobenzenes Alkyl aryl ethers Aryl bromides Amino acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Amino acid or derivatives - Tertiary amine - Ether - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available