Compound Identification
SMILES
COC1=C(NC(=O)CN2CCC(CC2)C2=NC3=CC=CC=C3N2)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=XYZGFVZBXSZHNG-UHFFFAOYSA-N
Formula
C21H23N5O4
Mass
409.446
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
Nitrophenyl ethers Benzimidazoles Methoxyanilines Anilides Methoxybenzenes N-arylamides Phenoxy compounds Nitroaromatic compounds Anisoles Aralkylamines Alkyl aryl ethers Piperidines Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Nitrophenyl ether - Benzimidazole - Nitrobenzene - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available