Compound Identification
SMILES
CN(C)CCNC(=O)C1=NC(NC(=O)C2=NC(NC(=O)C3=NC(NCC4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)=CN1C
InChIKey
InChIKey=TWXFTVSFQQONSQ-UHFFFAOYSA-N
Formula
C30H40Cl2N12O3
Mass
687.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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 Aniline and substituted anilines Dialkylarylamines Benzylamines Secondary alkylarylamines Aminoimidazoles N-substituted imidazoles Imidolactams Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4-trisubstituted-imidazole - Benzylamine - Nitrogen mustard - Dialkylarylamine - Aniline or substituted anilines - 2-heteroaryl carboxamide - Secondary aliphatic/aromatic amine - Aminoimidazole - Imidolactam - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Amine - Alkyl halide - Organohalogen compound - Organochloride - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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