Compound Identification
SMILES
CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3cc(CN=[N+]=[N-])cc(c3)N=[N+]=[N-])ccc12)c1ccc(F)cc1
InChIKey
InChIKey=DJXJRVLKVYXYOH-NDEPHWFRSA-N
Formula
C28H29FN8O2
Mass
528.592
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Isocoumarans Benzamides Aryl azides Benzoyl derivatives Fluorobenzenes N-acyl amines Trialkylamines Organic azides Amino acids and derivatives Alkyl azides Oxacyclic compounds Dialkyl ethers Carboxylic acid amides Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Aryl azide - Isocoumaran - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Fluorobenzene - N-acyl-amine - Organoazide - Alkyl azide - Tertiary aliphatic amine - Tertiary amine - Organic azide - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available