Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N=C2S\C(=C\C3=C(C=CC(=C3)[N+]([O-])=O)N3CCN(C)CC3)C(=O)N2[C@H]1C1=CC=C(Cl)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=DIZCDGDYFQRDDV-PVPFEYIBSA-N

Formula

C33H30ClN5O5S

Mass

644.14

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpiperazines

Alternative Parents

Cinnamic acid esters N-arylpiperazines Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Chlorobenzenes N-methylpiperazines Aryl chlorides Thiazoles Enoate esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid ester - N-arylpiperazine - Phenylpiperazine - Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - N-methylpiperazine - Chlorobenzene - N-alkylpiperazine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Isothiourea - Lactam - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organic cation - 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

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