Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=C(C=C1C)[N+]([O-])=O)S(=O)(=O)C1=CC2=C(C=C1)N(CCN(C)C)C=N2
InChIKey
InChIKey=RECJHSYYQIKSDI-CQTOTRCISA-N
Formula
C35H46N6O7S
Mass
694.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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
Nitrophenyl ethers Amphetamines and derivatives Benzimidazoles Nitrotoluenes m-Xylenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Organosulfonamides N-substituted imidazoles Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic zwitterions Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Phenylbutylamine - Amphetamine or derivatives - Benzimidazole - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Organosulfonic acid amide - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Alcohol - Organic salt - Organic oxygen compound - Organosulfur compound - 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