Compound Identification
SMILES
CN(C\C(=N/OCC1=CN=CN1)C(CCN1CCC(CC1)N1CCCCC1=O)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=IKHGNAJUVAULNG-MNIDXLESSA-N
Formula
C33H38Cl4N6O3
Mass
708.51
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 Aralkylamines Piperidinones Delta lactams Aryl chlorides Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Oxime ethers Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Piperidinone - Delta-lactam - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Piperidine - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - 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