Compound Identification
SMILES
CC1=CC=C(CN2N=C(O[C@H]3[C@H](O)C(C)(C)OC4=C3C=C(C=C4)C#N)[C@H]3C[C@H]3C2=O)C=C1
InChIKey
InChIKey=QFEBIXAGLOPJNN-KKXYHZGYSA-N
Formula
C25H25N3O4
Mass
431.492
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
Toluenes Pyridazinones Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Pyridazinone - Toluene - Monocyclic benzene moiety - Pyridazine - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available