Compound Identification
SMILES
CCNC(=O)NNC1=NC=NC2=C1C(=CN2C1=CC=C(C)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QHBSSPKZAXAUCM-UHFFFAOYSA-N
Formula
C22H21ClN6O
Mass
420.9
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
Pyrrolo[2,3-d]pyrimidines Toluenes Chlorobenzenes Aryl chlorides Pyrimidines and pyrimidine derivatives Imidolactams Semicarbazides Heteroaromatic compounds Hydrazinecarboxamides Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - 1-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Hydrazinecarboxamide - Semicarbazide - Carbonic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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