Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N)C2=C(N)OC3=CC=CC=C3C2CC1=C(C#N)C#N

InChIKey

InChIKey=WCQUAMDDMHHNHT-UHFFFAOYSA-N

Formula

C18H14N4O3

Mass

334.335

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Oxosteroids

Intermediate Tree Nodes

Not available

Direct Parent

Oxosteroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

17-oxosteroid - Oxosteroid - Aromatic monoterpenoid - Benzopyran - Monoterpenoid - 1-benzopyran - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.

External Descriptors

Not available

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