Structure Information
Structure

Compound Identification

SMILES

CN1N=NC2=C(N=CN2C1=O)C(N)=O.COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C

InChIKey

InChIKey=BSXTVTVDSGRANK-OCPPCWRMSA-N

Formula

C35H44FN9O5

Mass

689.793

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

Molecular Framework

Not available

Substituents

Tetralin - Benzimidazole - Imidazotetrazine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Aralkylamine - Aryl fluoride - Aryl halide - Tetrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

External Descriptors

Not available

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