Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SNC(CCN3CCN(CC3)C3=CC=C(C=C3)C#N)=C2C1C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=CTYGKFXRFQIBLZ-UHFFFAOYSA-N
Formula
C29H30N6O4S
Mass
558.66
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 Nitrobenzenes Aniline and substituted anilines Benzonitriles Dialkylarylamines Nitroaromatic compounds N-alkylpiperazines Thiazolines Enoate esters Amino acids and derivatives Trialkylamines Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - Phenylpiperazine - Nitrobenzene - Nitroaromatic compound - Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Ortho-thiazoline - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - 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