Compound Identification
SMILES
CC1=CC=C(CN2C=C(C(CC(=O)N3CCOCC3)C3=CC(Cl)=CC=C3)C3=CC=CC=C23)C=C1
InChIKey
InChIKey=IWTOPHMEFQTZJA-UHFFFAOYSA-N
Formula
C29H29ClN2O2
Mass
473.01
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
3-alkylindoles N-alkylindoles Toluenes Chlorobenzenes Aryl chlorides Substituted pyrroles Morpholines Heteroaromatic compounds Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - N-alkylindole - 3-alkylindole - Indole - Toluene - Halobenzene - Chlorobenzene - Morpholine - Aryl chloride - Oxazinane - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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