Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(C)=CC(C(=O)CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)=C1C
InChIKey
InChIKey=GEEMGNGUSQWRAY-UHFFFAOYSA-O
Formula
C27H39N4O3
Mass
467.633
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
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 Methoxyanilines Anisoles Aryl alkyl ketones Methoxybenzenes Phenoxy compounds N-alkylpiperazines Azepanes Alkyl aryl ethers Tertiary carboxylic acid amides Alpha-amino ketones Heteroaromatic compounds Vinylogous amides Quaternary ammonium salts Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Alpha-amino acid or derivatives - N-piperazineacetamide - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Azepane - Piperazine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Alpha-aminoketone - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic 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