Compound Identification
SMILES
CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)C1=CC(=NC2=CC=NN12)C(=O)NCC1=CC2=C(OC(=O)N2C)C=C1
InChIKey
InChIKey=NMJSDACWQJQKTH-UHFFFAOYSA-N
Formula
C29H27N7O5
Mass
553.579
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzoxazoles
- Subclass Benzoxazolones
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Class
Benzoxazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
Aromatic monoterpenoids Pyrazolo[1,5-a]pyrimidines Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Benzenoids Pyrazoles Oxazoles Heteroaromatic compounds Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Benzoxazolone - Nopinane monoterpenoid - Monoterpenoid - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Pyrazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available