Structure Information
Structure

Compound Identification

SMILES

CCCC1=CN=C(N=C1)N1CCC(CC1)N1C=C(F)C2=C(CC3=C(F)C=C(C=C3)C(=O)N(C)CCCO)N=CN=C12

InChIKey

InChIKey=NHHVGUYQJYTMSV-UHFFFAOYSA-N

Formula

C30H35F2N7O2

Mass

563.654

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Alkanolamine - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic 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

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