Compound Identification
SMILES
COC1=CC(N)=C(Cl)C=C1C(=O)OCC1CCN(C[C@@H](N)CC2=CNC3=CC=CC=C23)CC1
InChIKey
InChIKey=OQKOAMQJWCCPOD-SFHVURJKSA-N
Formula
C25H31ClN4O3
Mass
471.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Tryptamines and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Tryptamines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tryptamines and derivatives
Alternative Parents
O-methoxybenzoic acids and derivatives 3-alkylindoles 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Substituted pyrroles Piperidines Heteroaromatic compounds Carboxylic acid esters Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - O-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 3-alkylindole - Aminophenyl ether - Benzoic acid or derivatives - Indole - Methoxyaniline - Aniline or substituted anilines - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Substituted pyrrole - Piperidine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors
Not available