Compound Identification
SMILES
CC12CN3CC(CN(C1)CC3)C2=NNC(=S)NC1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=IXJJNHPKYOXBFJ-UHFFFAOYSA-N
Formula
C17H21ClFN5S
Mass
381.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Fluorobenzenes Chlorobenzenes Thiosemicarbazones Piperidines Aryl fluorides Aryl chlorides Trialkylamines Azacyclic compounds Organosulfur compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-diazepane - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Benzenoid - Aryl halide - Thiosemicarbazone - Monocyclic benzene moiety - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organofluoride - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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