Structure Information
Structure

Compound Identification

SMILES

CC1=CC(\C=C\C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC(CNCC2COC(C)(C)O2)=C1

InChIKey

InChIKey=PNVFEOJSDRZJTI-AATRIKPKSA-N

Formula

C29H31N7O2

Mass

509.614

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 - M-xylene - Xylene - Styrene - Aniline or substituted anilines - Aminopyrimidine - Ketal - Aralkylamine - Pyrimidine - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Acetal - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - 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