Compound Identification
SMILES
COC(=O)C1C2CCC(CC1C1=CC=C(Cl)C=C1)N2C\C=C/I
InChIKey
InChIKey=NHXMCNVSIJECMD-MBXJOHMKSA-N
Formula
C18H21ClINO2
Mass
445.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
-
Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Piperidinecarboxylic acids Aralkylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Methyl esters Trialkylamines Amino acids and derivatives Vinyl iodides Azacyclic compounds Monocarboxylic acids and derivatives Iodoalkenes Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Methyl ester - Pyrrolidine - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Iodoalkene - Haloalkene - Carboxylic acid derivative - Organoheterocyclic compound - Vinyl iodide - Monocarboxylic acid or derivatives - Vinyl halide - Organohalogen compound - Carbonyl group - Amine - Organic oxide - Organochloride - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available