Structure Information
Structure

Compound Identification

SMILES

CC(C)N1CCC(CC1)C1=CNC2=C1N=C(NC(=O)C1=CC=C(F)C=C1)C=C2

InChIKey

InChIKey=NBKQASQZUBJMEM-UHFFFAOYSA-N

Formula

C22H25FN4O

Mass

380.467

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Pyrrolopyridine - Benzoyl - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Substituted pyrrole - Imidolactam - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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

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