Compound Identification
SMILES
COC1=C(C)C(OC)=C(OC)C2=C1C[C@H]1[C@@H]3N(C)[C@@H](CC4=CC=CC=C34)[C@H](C#N)N1[C@H]2CO
InChIKey
InChIKey=PPRUFTQZXGCCPY-DDTUGOMQSA-N
Formula
C26H31N3O4
Mass
449.551
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzazocines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
Benzazocines
Alternative Parents
Tetrahydroisoquinolines Anisoles N-methylpiperazines Aralkylamines Alkyl aryl ethers Trialkylamines Alpha-aminonitriles 1,2-aminoalcohols Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazocine - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - 1,2-aminoalcohol - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Cyanide - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.
External Descriptors
Not available