Compound Identification
SMILES
COC1=CC=CC(=C1)N1C(=O)N(CC2=C(F)C=CC=C2F)C2=C(CCN(CCC3=CNC4=CC=CC=C34)C2)C1=O
InChIKey
InChIKey=SIJLLGCJSPPEJZ-UHFFFAOYSA-N
Formula
C31H28F2N4O3
Mass
542.587
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 Pyridopyrimidines Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Aralkylamines Fluorobenzenes Substituted pyrroles Aryl fluorides Vinylogous amides Heteroaromatic compounds Trialkylamines Ureas Lactams Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tryptamine - Pyridopyrimidine - 3-alkylindole - Indole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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