Compound Identification
SMILES
CNC(=O)NCCN1CCCN(C2CCN(CCC(\C(CN(C)C(=O)C3=CC(Cl)=CC(Cl)=C3)=N\OC)C3=CC=CC=C3)CC2)C1=O
InChIKey
InChIKey=YZXJRSRQTJOTTQ-BIXQXLNPSA-N
Formula
C33H45Cl2N7O4
Mass
674.67
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 Aralkylamines Pyrimidones Aryl chlorides Diazinanes Piperidines Tertiary carboxylic acid amides Amino acids and derivatives Ureas Trialkylamines Oxime ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyrimidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Oxime ether - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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