Compound Identification
SMILES
COCCN1CCCN(C2CCN(CCC(\C(CN(C)C(=O)C3=CC(Cl)=CC(Cl)=C3)=N\OC)C3=CC(Cl)=C(Cl)C=C3)CC2)C1=O
InChIKey
InChIKey=HIIIPQYTQQOVND-GGFUHWEBSA-N
Formula
C32H41Cl4N5O4
Mass
701.51
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dichlorobenzenes Pyrimidones Aralkylamines Piperidines Diazinanes Aryl chlorides Tertiary carboxylic acid amides Oxime ethers Amino acids and derivatives Ureas Trialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - 1,2-dichlorobenzene - Halobenzene - Aralkylamine - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyrimidine - Tertiary carboxylic acid amide - Oxime ether - Amino acid or derivatives - Tertiary aliphatic amine - Urea - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available