Compound Identification
SMILES
OC(=O)C1=CC=CC=C1O.CC1=C(F)C(=CC(F)=C1F)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1
InChIKey
InChIKey=KRMSMMYCOSKJFF-UHFFFAOYSA-N
Formula
C27H27F3N4O4
Mass
528.532
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Phenylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Salicylic acids Benzimidazoles Benzoic acids Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-alkylpiperazines Fluorobenzenes Aryl fluorides N-substituted imidazoles Vinylogous acids Heteroaromatic compounds Trialkylamines Ureas Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Not available
Substituents
Phenylpiperazine - N-arylpiperazine - Salicylic acid or derivatives - Salicylic acid - Hydroxybenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzimidazole - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Tertiary aliphatic/aromatic amine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Halobenzene - N-alkylpiperazine - Fluorobenzene - Aryl fluoride - N-substituted imidazole - Benzenoid - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous acid - Imidazole - Tertiary amine - Tertiary aliphatic amine - Urea - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available