Compound Identification
SMILES
OCC(N1CCN(CCCC2=CNC3=C2C=C(C=C3)N2C=NN=C2)CC1)C1=CC=C(F)C=C1
InChIKey
InChIKey=DSPKUTSKKRSQHN-UHFFFAOYSA-N
Formula
C25H29FN6O
Mass
448.546
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Phenyl-1,2,4-triazoles 3-alkylindoles N-alkylpiperazines Fluorobenzenes Aralkylamines Substituted pyrroles Aryl fluorides Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - Phenyltriazole - Phenyl-1,2,4-triazole - 3-alkylindole - Indole - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Substituted pyrrole - Benzenoid - Pyrrole - Azole - Heteroaromatic compound - 1,2,4-triazole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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