Compound Identification
SMILES
COC1=C(O)C2=C(C[C@H]3[C@@H]4N(C)[C@@H](CC5=C4C(O)=C(OC)C(C)=C5OC)[C@H](C#N)N3[C@H]2CNC(=O)C2=CC=C(Br)C=C2)C(OC)=C1C
InChIKey
InChIKey=VLRIUOQHEYZSEN-VEBUABNOSA-N
Formula
C35H39BrN4O7
Mass
707.622
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
4-halobenzoic acids and derivatives Tetrahydroisoquinolines Benzamides Anisoles Benzoyl derivatives N-methylpiperazines Bromobenzenes Alkyl aryl ethers Aralkylamines Phenols Aryl bromides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Alpha-aminonitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazocine - Tetrahydroisoquinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenol - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - Piperazine - Aryl halide - Aryl bromide - 1,4-diazinane - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Alpha-aminonitrile - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organohalogen compound - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - 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