Compound Identification
SMILES
CCCN(CC1=NC2=C(N=CC=C2)N1CC1CC1)C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=HNTHCMPYWBKUSU-UHFFFAOYSA-N
Formula
C21H22Cl2N4O
Mass
417.33
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
2-halobenzoic acids and derivatives Benzamides Imidazopyridines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Imidazopyridine - Benzamide - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - Pyridine - N-substituted imidazole - Aryl chloride - Vinylogous halide - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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