Compound Identification
SMILES
COC1=CC=C(CNC(=O)C2=C(N)N(C3=NC4=CC=CC=C4N=C23)C2=C(OC)C=C(OC)C=C2)C=C1
InChIKey
InChIKey=UNJAULLAXKKUFJ-UHFFFAOYSA-N
Formula
C27H25N5O4
Mass
483.528
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
-
Subclass
Substituted pyrroles
-
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
Dimethoxybenzenes Quinoxalines Methoxyanilines Pyrrolopyrazines Anisoles Phenoxy compounds Pyrrole carboxamides Alkyl aryl ethers Pyrazines Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Quinoxaline - Dimethoxybenzene - M-dimethoxybenzene - Pyrrolopyrazine - Methoxyaniline - Anisole - Phenol ether - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrazine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organic oxygen 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