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Details

Stereochemistry MIXED
Molecular Formula C21H26ClNO
Molecular Weight 343.89
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[1-(4-Chlorophenyl)-1-phenylethoxy]hexahydro-1-methyl-1H-azepine

SMILES

CN1CCCC(CC1)OC(C)(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=HWYKTWVEFMQZJW-UHFFFAOYSA-N
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-20-9-6-15-23(2)16-14-20/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[1-(4-Chlorophenyl)-1-phenylethoxy]hexahydro-1-methyl-1H-azepine
Systematic Name English
1H-Azepine, 4-[1-(4-chlorophenyl)-1-phenylethoxy]hexahydro-1-methyl-
Preferred Name English
N-Methyl-4-[1-(4-chlorophenyl)-1-phenylethoxy)hexahydroazepine
Systematic Name English
Code System Code Type Description
PUBCHEM
71392408
Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025
PRIMARY
CAS
61771-18-4
Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID00814225
Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025
PRIMARY
FDA UNII
KB49D28KXC
Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025
PRIMARY