Compound Identification
SMILES
[Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2N=C(NC(=O)N2C([O-])=O)[N+]2=CN(C=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
InChIKey
InChIKey=ZWBMSULXGFQJPM-UHFFFAOYSA-N
Formula
C28H30ClN7O3
Mass
548.04
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Triazinones 1,3,5-triazines Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Ureas Ortho amides Carbamic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Carbonyl compounds Imines Organic chloride salts Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Triazinone - Monocyclic benzene moiety - N-substituted imidazole - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Ortho amide - Urea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available