Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CN2C(OS(=O)(=O)C(F)(F)F)=NC3=C2C(CN1CC=C(C)C)=C(C=C3)C#N

InChIKey

InChIKey=AWXZTVUPXZVWDX-LBPRGKRZSA-N

Formula

C18H19F3N4O3S

Mass

428.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,4-benzodiazepine - Benzimidazole - Trifluoromethanesulfonate - Para-diazepine - Aralkylamine - N-substituted imidazole - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Halomethane - Alkyl halide - Amine - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

External Descriptors

Not available

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