Compound Identification
SMILES
COC(=O)C1=CC(CN2C=NC(NC3=CC(C#N)=C(C=C3)N3C=NC(C)=C3)=N2)=CC=C1
InChIKey
InChIKey=RCNOKQVVINXHSN-UHFFFAOYSA-N
Formula
C22H19N7O2
Mass
413.441
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
Benzoic acid esters Aniline and substituted anilines Benzonitriles Benzoyl derivatives Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Methyl esters Triazoles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Nitriles Secondary amines Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Benzoate ester - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Imidazolyl carboxylic acid derivative - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Methyl ester - 1,2,4-triazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - 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