Compound Identification
SMILES
CN1C2=C(N(CC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C(=N2)N2CCN(CC3=CC=CC=C3)CC2)C(=O)N(C)C1=O
InChIKey
InChIKey=PKTGVVAPHONJNR-UHFFFAOYSA-N
Formula
C26H27N7O5
Mass
517.546
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
N-arylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines N-alkylpiperazines Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Trialkylamines Lactams Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Purine - Nitrobenzene - Imidazopyrimidine - Alkaloid or derivatives - Dialkylarylamine - Phenylmethylamine - Nitroaromatic compound - Aryl alkyl ketone - Benzylamine - Benzoyl - Aralkylamine - Pyrimidone - N-alkylpiperazine - Benzenoid - Piperazine - N-substituted imidazole - 1,4-diazinane - Monocyclic benzene moiety - Pyrimidine - Aminoimidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Urea - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Amine - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available