Compound Identification
SMILES
CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC4OC34N12
InChIKey
InChIKey=BXVQYMAJTCPRLS-UHFFFAOYSA-N
Formula
C18H13ClFN3O
Mass
341.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Fluorobenzenes Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Ketimines Azacyclic compounds Vinyl chlorides Epoxides Chloroalkenes Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-diazepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Ketimine - Oxacycle - Oxirane - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl chloride - Vinyl halide - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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