Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCNC2=NC=NC3=C2C(=CN3C2=CC=C(Cl)C=C2)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=FGOULYIZRNWMTH-UHFFFAOYSA-N

Formula

C28H25ClN4O2

Mass

484.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Dimethoxybenzenes Pyrrolo[2,3-d]pyrimidines Phenoxy compounds Anisoles Chlorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrole - 1-phenylpyrrole - Dimethoxybenzene - O-dimethoxybenzene - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Pyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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