Compound Identification
SMILES
COC(=O)C1=C(C)N=C(C)\C(C1C1=CC(=CC=C1)[N+]([O-])=O)=C1\ONC(CN2CCN(CC2)C2=CC=CC(=C2)C(F)(F)F)=N1
InChIKey
InChIKey=WJEBLDQMFFXZJV-PNHLSOANSA-N
Formula
C29H29F3N6O5
Mass
598.583
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 Trifluoromethylbenzenes Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds N-alkylpiperazines Imidolactams Enoate esters Methyl esters Trialkylamines Amino acids and derivatives Ketene acetals Ketimines Amidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organofluorides Organic zwitterions Organic salts Hydrocarbon derivatives Alkyl fluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Dihydropyridine - N-alkylpiperazine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Imidolactam - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Ketimine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Amidine - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Imine - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - 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