Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC(C)=C1)C1=C(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C2=C(N1)SC(=C2)C(C)(C)C(=O)N1C2CCC1CC2

InChIKey

InChIKey=ZJXSNZWMBZUOTD-UHFFFAOYSA-N

Formula

C36H47N5O3S

Mass

629.86

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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

Alpha amino acids and derivatives N-piperazineacetamides m-Xylenes 2,3,5-trisubstituted thiophenes Thienopyrroles Aryl alkyl ketones N-acylpyrrolidines N-alkylpiperazines Vinylogous amides Alpha-amino ketones Tertiary carboxylic acid amides Azoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrole - Alpha-amino acid or derivatives - N-piperazineacetamide - Thienopyrrole - N-acylpyrrolidine - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Xylene - M-xylene - N-alkylpiperazine - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Azole - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Alpha-aminoketone - Thiophene - Amino acid or derivatives - Carboxamide group - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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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