Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C2C(CC3CN(C(=O)C4=CC=CC=C4)C4=CC=CC2=C34)N=C1O

InChIKey

InChIKey=YNQRXQKMPLQFTJ-UHFFFAOYSA-N

Formula

C22H18N2O3

Mass

358.397

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

6,7-secoergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

6,7-secoergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6,7-secoergoline - Ergoline skeleton - Indolecarboxylic acid derivative - Tetralin - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Isoindole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Cyclic carboximidic acid - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6,7-secoergolines. These are compounds containing a tricyclic ergoline analog, where carbon atoms C6 and C7 are not linked to each other.

External Descriptors

Not available

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