Compound Identification
SMILES
CC1=C(Br)C(\C=N/NC(=O)C2=CN=CC=C2)=C(C)N1C1=C(C)C=CC=C1C
InChIKey
InChIKey=XZMLQVSEVHOQIE-MSXFZWOLSA-N
Formula
C21H21BrN4O
Mass
425.33
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
Nicotinamides m-Xylenes Aryl bromides Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Nicotinamide - Pyridine carboxylic acid or derivatives - M-xylene - Xylene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl bromide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - 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