Compound Identification
SMILES
CC1=CNC2=C1C=C(CNC(=O)CN1C(C)=CN=C(NCCC3=CC=CC=C3OCCN)C1=O)C=C2
InChIKey
InChIKey=LBEISLRUMRUSOS-UHFFFAOYSA-N
Formula
C27H32N6O3
Mass
488.592
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
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Level 5
3-alkylindoles
- Level 6 3-methylindoles
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Level 5
3-alkylindoles
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Subclass
Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
3-alkylindoles
Direct Parent
3-methylindoles
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrazines Substituted pyrroles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methylindole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrazine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Substituted pyrrole - Pyrazine - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Primary aliphatic amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
External Descriptors
Not available