Compound Identification
SMILES
CCOC(=O)C1=NN(C2=CC=CC=C2)C2(S1)N(N=C(C1=CC=C(CC)C=C1)C1=CC=CC=C21)C1=CC=CC=C1
InChIKey
InChIKey=BKTKQFUMNCEVRN-UHFFFAOYSA-N
Formula
C32H28N4O2S
Mass
532.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
- Level 5 Phthalazines
-
Subclass
Benzodiazines
-
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
Benzene and substituted derivatives Thiadiazolines Carboxylic acid esters Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazine - Monocyclic benzene moiety - Benzenoid - Thiadiazoline - Carboxylic acid ester - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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