4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxyhexan-3-yl]-1,2,4-triazol-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H44F2N8O4
Molecular Weight	714.804
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxyhexan-3-yl]-1,2,4-triazol-3-one

Structure Search

SMILES

CCC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=C(F)C=C(F)C=C7)C=C4

InChI

InChIKey=PJSOSOTUOAGKOT-XQPVTFFNSA-N

InChI=1S/C38H44F2N8O4/c1-3-4-36(27(2)49)48-37(50)47(26-43-48)32-8-6-30(7-9-32)44-15-17-45(18-16-44)31-10-12-33(13-11-31)51-21-28-20-38(52-22-28,23-46-25-41-24-42-46)34-14-5-29(39)19-35(34)40/h5-14,19,24-28,36,49H,3-4,15-18,20-23H2,1-2H3/t27-,28+,36-,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H44F2N8O4
Molecular Weight	714.804
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:16:52 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:52 GMT 2025`
Record UNII	L7X6Q4H88M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxyhexan-3-yl]-1,2,4-triazol-3-one

Preferred Name

English

Code System Code Type Description

PUBCHEM

89470996

Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025

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FDA UNII

L7X6Q4H88M

Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025

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