Compound Identification
SMILES
CC1=CC(C[C@@H]2[C@@H]3OC(C)(C)O[C@H]3[C@@H](CC3=C(C)NC(C)=C3)N(CC3=CC=CC=C3)C(=O)N2CC2=CC=CC=C2)=C(C)N1
InChIKey
InChIKey=RPMSKZORTRAPNN-WZJLIZBTSA-N
Formula
C36H44N4O3
Mass
580.773
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazepanes
- Subclass 1,3-diazepanes
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Class
Diazepanes
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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 Substituted pyrroles 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 - Benzenoid - Substituted pyrrole - Meta-dioxolane - Pyrrole - 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