Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC(NC(C)=O)=C(C=C1)N=NC1=NC(Cl)=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N

InChIKey

InChIKey=QNVMQOMOPBFLOI-UHFFFAOYSA-N

Formula

C28H22ClN7O2S

Mass

556.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Indanes

Subclass

Indanones

Intermediate Tree Nodes

Not available

Direct Parent

Indanones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indanone - Acetanilide - Anilide - N-acetylarylamine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Tertiary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Azole - Heteroaromatic compound - Acetamide - Thiazole - Amino acid or derivatives - Azo compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.

External Descriptors

Not available

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