Compound Identification
SMILES
CC1=C(SC2=NC3=CC=CC=C3N12)C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ZLJPOZGJRRCFTG-UHFFFAOYSA-N
Formula
C28H27ClN4O4S
Mass
551.06
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Benzimidazoles Aryl ketones Pyrroline carboxylic acids and derivatives Chlorobenzenes Aryl chlorides Morpholines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Vinylogous acids Pyrroles Thiazoles Tertiary carboxylic acid amides Amino acids and derivatives Lactams Trialkylamines Oxacyclic compounds Enols Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzimidazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Pyrrole - Thiazole - Azole - Vinylogous amide - Vinylogous acid - Carboxamide group - Tertiary amine - Ketone - Lactam - Amino acid or derivatives - Tertiary aliphatic amine - Enol - Ether - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available