Compound Identification
SMILES
COC1=CC2=C(C=C1)C=CC(=C2C1=NC=CC2=CC(OC)=C(CN3CCC(NC(=O)C(F)(F)F)C3=O)C=C12)S(O)(=O)=O
InChIKey
InChIKey=ZMUCFYKIAZVSSE-UHFFFAOYSA-N
Formula
C28H24F3N3O7S
Mass
603.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass Naphthylisoquinolines
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Naphthylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthylisoquinolines
Alternative Parents
2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives N-acyl-alpha amino acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Anisoles Alkyl aryl ethers Pyridines and derivatives Pyrrolidine-2-ones N-alkylpyrrolidines Organosulfonic acids Sulfonyls Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthylisoquinoline - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - N-acyl-alpha amino acid or derivatives - Naphthalene - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Alkyl halide - Organic oxygen compound - Organic oxide - Alkyl fluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthylisoquinolines. These are polycyclic aromatic compounds containing a naphthalene moiety linked to an isoquinoline through a CC or CN single bond.
External Descriptors
Not available