Compound Identification
SMILES
CC1=C(C)C=C(CC2CN(CC#CCN3CCOCC3)CCN2C(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1
InChIKey
InChIKey=PFPLTLPJFASKHQ-UHFFFAOYSA-N
Formula
C28H33Cl2N3O2
Mass
514.49
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 o-Xylenes Dichlorobenzenes Benzoyl derivatives Aralkylamines N-alkylpiperazines Morpholines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - O-xylene - Xylene - Halobenzene - N-alkylpiperazine - Chlorobenzene - Aralkylamine - Morpholine - Aryl chloride - Piperazine - Oxazinane - 1,4-diazinane - Aryl halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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