Structure Information
Structure

Compound Identification

SMILES

OC1C(O)C(CC2=CC=CC=C2)N(CC2=CC(C#N)=C(F)C=C2)C(=O)N(CC2=CC=CC=C2)C1CC1=CC=CC=C1

InChIKey

InChIKey=VPQSGKZFVBCJPW-UHFFFAOYSA-N

Formula

C34H32FN3O3

Mass

549.646

Export to:

JSON SDF CSV

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 heteromonocyclic compounds

Substituents

Benzonitrile - 1,3-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2-diol - Urea - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alcohol - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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

Previous Back Next