Compound Identification
SMILES
CCC1=CC=C(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](CC3=CC=C(CC)C=C3)N(CC3=CC4=C(NN=C4N)C=C3)C(=O)N2CC2=CC3=C(NN=C3N)C=C2)C=C1
InChIKey
InChIKey=ZQHWCROOUMKOGV-NWJWHWDBSA-N
Formula
C39H44N8O3
Mass
672.834
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrazoles
- Subclass Indazoles
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Class
Benzopyrazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
1,3-diazepanes Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - 1,3-diazepane - Diazepane - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Pyrazole - Secondary alcohol - Urea - 1,2-diol - Carbonic acid derivative - Azacycle - Alcohol - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available