Compound Identification
SMILES
COC1=CC=C(C=C1)N1CCN(CC1)C1=C(N=C(O1)C1=CC=CC=C1[N+]([O-])=O)C#N
InChIKey
InChIKey=YTXWTJJEBHESMR-UHFFFAOYSA-N
Formula
C21H19N5O4
Mass
405.414
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 Phenyl-1,3-oxazoles Aminophenyl ethers Nitrobenzenes Methoxyanilines 2,4,5-trisubstituted oxazoles Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Phenyl-1,3-oxazole - Aminophenyl ether - Nitrobenzene - Methoxyaniline - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Organic nitro compound - Tertiary amine - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Amine - Organic cation - 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