Compound Identification
SMILES
CC1=NN(C2=CC=CC=C2)[C@@]2(SC(=NN2C2=CC=C(Br)C=C2)C(=O)C2=CC=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=XBLZWFGEHVFNFQ-LJAQVGFWSA-N
Formula
C29H21BrN4OS
Mass
553.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Phthalazines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalazines
Alternative Parents
Benzoyl derivatives Aryl ketones Bromobenzenes Aryl bromides Thiadiazolines Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazine - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Thiadiazoline - Ketone - Azacycle - Hydrazone - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
External Descriptors
Not available