Compound Identification
SMILES
CN1N=C(C(=O)NCC2=CC=C(Cl)C=C2)C(=O)C2=CC(CN3CCOCC3)=CC(CCCN3CCS(=O)(=O)CC3)=C12
InChIKey
InChIKey=NVAXPHSKHMJWOM-UHFFFAOYSA-N
Formula
C29H36ClN5O5S
Mass
602.15
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Cinnolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Cinnolines
Alternative Parents
2-heteroaryl carboxamides Aralkylamines Chlorobenzenes Aryl chlorides Thiomorpholines Morpholines Pyridazines and derivatives Heteroaromatic compounds Vinylogous amides Sulfones Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnoline - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-thiazinane - Pyridazine - Oxazinane - Morpholine - Heteroaromatic compound - Vinylogous amide - Sulfone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnolines. These are organic aromatic compounds containing a benzene fused to a pyridazine ring.
External Descriptors
Not available