Compound Identification
SMILES
COC1(COC1)C1=CC(F)=C(C(F)=C1)C1=NN2C(NC3=C(C=CN=C3)[C@@H]3C[C@H](C)[C@H](OCCC#N)[C@H](N)C3)=NC=C2C=C1
InChIKey
InChIKey=NCTDOKHXQOAEPZ-DKRKYHPESA-N
Formula
C31H33F2N7O3
Mass
589.648
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyridazines and derivatives
- Level 5 Phenylpyridazines
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Subclass
Pyridazines and derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridazines
Alternative Parents
Benzylethers Aminopyridines and derivatives Aralkylamines Cyclohexylamines Fluorobenzenes Aminoimidazoles Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Oxetanes Oxacyclic compounds Dialkyl ethers Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyridazine - Benzylether - Aminopyridine - Cyclohexylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Benzenoid - Pyridine - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Oxetane - Oxacycle - Azacycle - Nitrile - Dialkyl ether - Ether - Carbonitrile - Organonitrogen compound - Cyanide - Organohalogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary aliphatic amine - Organooxygen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
External Descriptors
Not available