Compound Identification
SMILES
OC1(CC(C2=CC=C(F)C=C2)=[N+]2CCCCCN12)C1=CC=C(Br)C=C1
InChIKey
InChIKey=DKBMEVCBCFHUKD-UHFFFAOYSA-N
Formula
C20H21BrFN2O
Mass
404.303
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepanes
- Subclass 1,2-diazepanes
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Class
Diazepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepanes
Subclass
1,2-diazepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,2-diazepanes
Alternative Parents
Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Pyrazolines Azacyclic compounds Alkanolamines Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-diazepane - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrazoline - Alkanolamine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 2 of the diazepane ring.
External Descriptors
Not available