Structure Information
Structure

Compound Identification

SMILES

[Fe++].O=C(NCCCN1CCN(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC1)[C]1[CH][CH][CH][CH]1

InChIKey

InChIKey=VGGJWHSAMRFXIK-UHFFFAOYSA-N

Formula

C28H31FeN4O3

Mass

527.425

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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 - Naphthalene - N-alkylpiperazine - 1,4-diazinane - Carboxylic acid imide, n-substituted - Piperazine - Benzenoid - Carboxylic acid imide - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - 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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