Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1C2=C(OC3=C1C(=O)CC(C)(C)C3)N=CN1N=C(N=C21)C1=CC=CC=C1Cl
InChIKey
InChIKey=KMARLRBNEKJHOC-UHFFFAOYSA-N
Formula
C28H25ClN4O4
Mass
516.98
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
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Dimethoxybenzenes Pyranopyrimidines Triazolopyrimidines Anisoles Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Cyclohexenones Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Vinylogous esters Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Pyranopyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Triazolopyrimidine - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Cyclohexenone - Pyrimidine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Ketone - Oxacycle - Ether - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available