Structure Information
Structure

Compound Identification

SMILES

OCCN1CCC(=CC1)C1=CN=C(N=C1)N1CCO[C@@H](CN2N=NC3=NC=C(N=C23)C2=CC(C#N)=C(F)C=C2)C1

InChIKey

InChIKey=XAEJUWQOJWOOCF-JOCHJYFZSA-N

Formula

C27H27FN10O2

Mass

542.579

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzonitrile - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Hydropyridine - Morpholine - Oxazinane - Pyrazine - Pyrimidine - Azole - Heteroaromatic compound - 1,2,3-triazole - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Alkanolamine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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