Structure Information
Structure

Compound Identification

SMILES

OCCN1CCN(CC1)C(=O)CSC1=NN=C(CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)N1C1=CC=CC=C1

InChIKey

InChIKey=CTIZCHYSTCRTLX-UHFFFAOYSA-N

Formula

C33H36N6O4S

Mass

612.75

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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

Isoquinolone - Phenyl-1,2,4-triazole - Phenyltriazole - Naphthalene - Aryl thioether - Alkylarylthioether - N-alkylpiperazine - Carboxylic acid imide, n-substituted - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Carboxylic acid imide - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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