Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(N)=C(C(=O)OCC2CCCO2)C2=NC3=CC=CC=C3N=C12
InChIKey
InChIKey=KGCYWJMCSZJSLV-UHFFFAOYSA-N
Formula
C23H22N4O3
Mass
402.454
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
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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 Pyrrolopyrazines Pyrrole carboxylic acids and derivatives Toluenes Primary aromatic amines Pyrazines Heteroaromatic compounds Oxolanes Vinylogous amides Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Diazanaphthalene - Quinoxaline - Pyrrolopyrazine - Pyrrole-3-carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Pyrazine - Benzenoid - Oxolane - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Amine - Organopnictogen 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