Compound Identification
SMILES
COC1CCCN1C(=O)C1=CC(=CC(=C1)C1=CC=CC=C1C#N)C(=O)OCC(N)(CO)CC1=CC=CC=C1
InChIKey
InChIKey=IPSPAUDWYHZSKX-UHFFFAOYSA-N
Formula
C30H31N3O5
Mass
513.594
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Amphetamines and derivatives Benzoic acid esters Benzamides Benzonitriles Benzoyl derivatives N-acylpyrrolidines Aralkylamines Tertiary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Primary alcohols Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Amphetamine or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - N-acylpyrrolidine - Aralkylamine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Cyanide - Organic oxygen compound - Primary amine - Primary alcohol - Primary aliphatic amine - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available