Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)N2[C@H]3C=C[C@]4([C@H](ON=C(N4C4=CC=C(C)C=C4)C(C)(C)C)C=C3)N2C1=O

InChIKey

InChIKey=BXSICNMQPCTTHB-DRSNIGMVSA-N

Formula

C22H25N5O3

Mass

407.474

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triazolo-ortho-diazepine - Aniline or substituted anilines - Ortho-diazepine - Toluene - Urazole - Monocyclic benzene moiety - Benzenoid - Imidolactam - 1,2,4-triazole - Azole - Heteroaromatic compound - Amidine - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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