Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCC(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)C=C2C=N[C@@H]3CCCN3C(=O)C2=C1

InChIKey

InChIKey=NTXKPQZZNLPMJN-LJAQVGFWSA-N

Formula

C33H29N3O4

Mass

531.612

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Pyrenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrene - Phenanthrene - Benzodiazepine - Naphthalene - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

External Descriptors

Not available

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