Compound Identification
SMILES
CC1=C(N=CC=C1)C(N1CCCNCC1)C1=CC=CC=C1Br
InChIKey
InChIKey=QHXZQYRYWMZCRE-UHFFFAOYSA-N
Formula
C18H22BrN3
Mass
360.299
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazepanes
- Subclass 1,4-diazepanes
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Class
Diazepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepanes
Subclass
1,4-diazepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-diazepanes
Alternative Parents
Methylpyridines Bromobenzenes Aralkylamines Aryl bromides Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,4-diazepane - Methylpyridine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
External Descriptors
Not available