Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(CC#N)=C1F)C(NC1=CC=C(C=C1)C(N)=N)C1=NC(=O)N(N1)C1=NN=CC=C1

InChIKey

InChIKey=RORLQRAMNWNCIJ-UHFFFAOYSA-N

Formula

C23H20FN9O2

Mass

473.472

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzyl cyanides

Intermediate Tree Nodes

Not available

Direct Parent

Benzyl cyanides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzyl-cyanide - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Pyridazine - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Ether - Carboximidamide - Secondary amine - Carbonitrile - Nitrile - Amidine - Organic oxide - Cyanide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.

External Descriptors

Not available

Previous Back Next