Compound Identification
SMILES
CN(C)CCNC(=O)C1=NC(NC(=O)C2=NC(NC(=O)C3=NC(NC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)=CN1C
InChIKey
InChIKey=CRUWJKLIQRXYDQ-UHFFFAOYSA-N
Formula
C33H44Cl2N12O4
Mass
743.7
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
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Level 6
Trisubstituted imidazoles
- Level 7 1,2,4-trisubstituted imidazoles
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Level 6
Trisubstituted imidazoles
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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 - Trisubstituted imidazoles
Direct Parent
1,2,4-trisubstituted imidazoles
Alternative Parents
2-heteroaryl carboxamides Nitrogen mustard compounds N-arylamides Aniline and substituted anilines Dialkylarylamines N-substituted imidazoles Imidolactams Fatty amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Alkyl chlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - 1,2,4-trisubstituted-imidazole - Nitrogen mustard - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty amide - N-substituted imidazole - Fatty acyl - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
External Descriptors
Not available