Structure Information
Structure

Compound Identification

SMILES

NC1=CN=C(N=C1N[C@@H]1CCC(=O)C2=CC=CC=C12)N1C=NC2=C1C=C(F)C=C2

InChIKey

InChIKey=XLVHGYAMKCGMIW-MRXNPFEDSA-N

Formula

C21H17FN6O

Mass

388.406

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Tetralin - Benzimidazole - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Ketone - Azacycle - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

External Descriptors

Not available

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