Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)OC(C(OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O.FC(F)(F)C1=CC=C(C=C1)N1CC[C@@H](CC2=CC=CC=C2N2CCNCC2)C1=O
InChIKey
InChIKey=BBRRIFKDZBUQJA-LMOVPXPDSA-N
Formula
C42H42F3N3O9
Mass
789.805
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 Phenylpyrrolidines Trifluoromethylbenzenes Benzoic acid esters Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines Toluenes Pyrrolidine-2-ones Dicarboxylic acids and derivatives Monosaccharides Tertiary carboxylic acid amides Pyrroles Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Phenylpiperazine - N-arylpiperazine - 1-phenylpyrrolidine - Trifluoromethylbenzene - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Toluene - Monosaccharide - Benzenoid - 2-pyrrolidone - Pyrrolidone - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Secondary amine - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Carboxylic acid - Organooxygen compound - Amine - Alkyl fluoride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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