Compound Identification
SMILES
CC1=CC(OCC(=O)N2CCC(C2)N2C=C(N=N2)C2=NC(=NO2)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=JXSGRUNXRGVTAB-UHFFFAOYSA-N
Formula
C23H22N6O3
Mass
430.468
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Phenoxy compounds Phenol ethers N-acylpyrrolidines Toluenes Alkyl aryl ethers Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - 1,2,3-triazole - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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