Compound Identification
SMILES
CC(C)C1=CC=C(NC2=C(Cl)C(=O)N(N=C2)C23CC4CC(CC(CC(O)=O)(C4)C2)C3)C=C1
InChIKey
InChIKey=AGNLDINYOVKOJX-UHFFFAOYSA-N
Formula
C25H30ClN3O3
Mass
455.98
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 Aniline and substituted anilines Aminopyridazines Pyridazinones Primary aromatic amines Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Secondary amines Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cumene - Phenylpropane - Aniline or substituted anilines - Aminopyridazine - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Primary aromatic amine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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