Structure Information
Structure

Compound Identification

SMILES

COC1=CC(N)=C(Cl)C=C1C(=O)OCCN1CCC(CN2C(=O)C3=CC=CC4=C(N)C=CC(C2=O)=C34)CC1

InChIKey

InChIKey=XGROYDBQYXXGJQ-UHFFFAOYSA-N

Formula

C28H29ClN4O5

Mass

537.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-methoxybenzoic acid or derivatives - Isoquinolone - Naphthalene - Aminobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid or derivatives - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Piperidine - Carboxylic acid imide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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