Compound Identification
SMILES
CCC(N(CC1=CC=CC=C1)C(=O)C1=CC=C(Cl)C=C1)C1=NN2C=CC=C2C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=OXUBEILYTLUCQL-UHFFFAOYSA-N
Formula
C30H27ClN4O2
Mass
511.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Pyrrolo[2,1-f][1,2,4]triazines Benzamides Benzoyl derivatives Chlorobenzenes 1,2,4-triazines Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Pyrrolo[2,1-f][1,2,4]triazine - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazine - Triazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available