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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H31F3N2O2
Molecular Weight 556.6173
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-204688

SMILES

COC1=CC=CC=C1[C@H](C2=CC=CC3=CC=CC=C23)[C@@](C)(C#N)C(=O)N4CCC(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChIKey=JZPONCMNBSEYQW-CQTOTRCISA-N
InChI=1S/C34H31F3N2O2/c1-33(22-38,32(40)39-19-17-23(18-20-39)25-11-7-12-26(21-25)34(35,36)37)31(29-14-5-6-16-30(29)41-2)28-15-8-10-24-9-3-4-13-27(24)28/h3-16,21,23,31H,17-20H2,1-2H3/t31-,33+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
WAY-204688
Code English
SIM688
Code English
WAY204688
Code English
(2R)-2-((S)-(2-METHOXYPHENYL)-(1-NAPHTHYL)METHYL)-2-METHYL-3-OXO-3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERIDYL)PROPANENITRILE
Systematic Name English
PIPERIDINE, 1-((2S,3S)-2-CYANO-3-(2-METHOXYPHENYL)-2-METHYL-3-(1-NAPHTHALENYL)-1-OXOPROPYL)-4-(3-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9829162
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
WIKIPEDIA
WAY-204688
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
FDA UNII
QT9VF4MW6U
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID701336370
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
CAS
796854-35-8
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
SIM-688
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY HY-19498 CAS:796854-35-8 (Synonyms WAY 204688, WAY204688, SIM 688, SIM688, SIM-688)