Compound Identification
SMILES
CCC1C(C)CNC2=CC(=O)CC3=C2N1C(Br)=N3
InChIKey
InChIKey=GUPUMXBCIDCHJH-UHFFFAOYSA-N
Formula
C13H16BrN3O
Mass
310.195
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazepines
- Subclass 1,4-diazepines
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Class
Diazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepines
Subclass
1,4-diazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-diazepines
Alternative Parents
N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Cyclic ketones Enamines Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-diazepine - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Cyclic ketone - Ketone - Azacycle - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
External Descriptors
Not available