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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepanes
- Subclass 1,3-diazepanes
-
Class
Diazepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepanes
Subclass
1,3-diazepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-diazepanes
Alternative Parents
Ketals Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds 1,3-dioxolanes Ureas Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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