Compound Identification
SMILES
CCC1CCC(CC1)C(=O)N[C@@H](CC1=CC=C(OCC2=CC=C(C=C2)C(O)=O)C=C1)C1=NC(=CN1CC#CC)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=XFUDKWTTYYMXJP-CHAGMNPESA-N
Formula
C38H39Cl2N3O4
Mass
672.65
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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Amphetamines and derivatives Benzoic acids 1,2,4-trisubstituted imidazoles Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Amphetamine or derivatives - Benzoic acid or derivatives - Benzoic acid - 1,2,4-trisubstituted-imidazole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Imidazolyl carboxylic acid derivative - Phenol ether - Trisubstituted imidazole - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organochloride - 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