Compound Identification
SMILES
CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2.COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
InChIKey
InChIKey=MYZFIGQBNLNRBX-VERLMJSHSA-N
Formula
C49H64N4O6S
Mass
837.13
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
3-alkylindoles Dimethoxybenzenes Phenylpropanes Phenethylamines Benzenesulfonyl compounds Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines Substituted pyrroles N-alkylpyrrolidines Sulfones Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylbutylamine - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Indole - Phenethylamine - Benzenesulfonyl group - Indole or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Sulfone - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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