Compound Identification
SMILES
CCNCCOC1=CC=CC=C1C(C)(C)NC1=NC=CN(C1=O)C1=C(Cl)C=CC(=C1)C(=O)NC1CC1
InChIKey
InChIKey=NXBCQDDDEBAIAN-UHFFFAOYSA-N
Formula
C27H32ClN5O3
Mass
510.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Phenylpropanes Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aminopyrazines Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenylpropane - Benzoyl - Phenol ether - Phenoxy compound - Aminopyrazine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Imidolactam - Aryl chloride - Aryl halide - Pyrazine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Azacycle - Carboxylic acid derivative - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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