Structure Information
Structure

Compound Identification

SMILES

CC1(C)O[C@@H]2[C@@H](O1)[C@@H](CC1=CC=CC=C1)N(CC#CC1=CN=CC=C1)C(=O)N(CC#CC1=CN=CC=C1)[C@@H]2CC1=CC=CC=C1

InChIKey

InChIKey=HNCGRGGMYGDCSX-NWJWHWDBSA-N

Formula

C38H36N4O3

Mass

596.731

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepanes

Subclass

1,3-diazepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,3-diazepanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-diazepane - Ketal - Monocyclic benzene moiety - Pyridine - Benzenoid - Meta-dioxolane - Heteroaromatic compound - Urea - Acetal - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 3 of the diazepane ring.

External Descriptors

Not available

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