Compound Identification
SMILES
COCC(C)OC(=O)C1=C(N)N(C2=NC3=CC=CC=C3N=C12)C1=C(OC)C=C(OC)C=C1
InChIKey
InChIKey=LJHUTFIANJPMFQ-UHFFFAOYSA-N
Formula
C23H24N4O5
Mass
436.468
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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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
Quinoxalines Dimethoxybenzenes Pyrrolopyrazines Methoxyanilines Pyrrole carboxylic acids and derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Pyrazines Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Quinoxaline - Dimethoxybenzene - M-dimethoxybenzene - Pyrrolopyrazine - Methoxyaniline - Anisole - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - 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