Compound Identification
SMILES
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCCCC1C1=NC(=NO1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MNTQWZBTKGGOSV-UHFFFAOYSA-N
Formula
C26H31BrN4O2
Mass
511.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
N-phenylureas Piperidinecarboxamides Phenylpropanes Cumenes Bromobenzenes Aryl bromides Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - Cumene - Phenylpropane - 1-piperidinecarboxamide - Piperidinecarboxamide - Bromobenzene - Halobenzene - Benzenoid - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available