Compound Identification
SMILES
COC1=CC=CC(=C1)C1=CN(C2CCN(CC(=O)N(C)C)CC2)C2=C1C(N)=NC=N2
InChIKey
InChIKey=TUXRFGDOGJUGFD-UHFFFAOYSA-N
Formula
C22H28N6O2
Mass
408.506
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
Alpha amino acids and derivatives Pyrrolo[2,3-d]pyrimidines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Piperidines Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Alpha-amino acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Piperidine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - 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