rel-2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-[4-(methoxymethoxy)phenyl]-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Details

Stereochemistry	RACEMIC
Molecular Formula	C32H39N5O4
Molecular Weight	557.6832
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of rel-2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-[4-(methoxymethoxy)phenyl]-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Structure Search

SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N2N=CN(C2=O)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(OCOC)C=C5

InChI

InChIKey=LHIJBIYHBOPNJS-FKAPRUDGSA-N

InChI=1S/C32H39N5O4/c1-4-31(25(2)40-22-26-8-6-5-7-9-26)37-32(38)36(23-33-37)29-12-10-27(11-13-29)34-18-20-35(21-19-34)28-14-16-30(17-15-28)41-24-39-3/h5-17,23,25,31H,4,18-22,24H2,1-3H3/t25-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H39N5O4
Molecular Weight	557.6832
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:51:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:57 GMT 2025`
Record UNII	62L4BF7A6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3H-1,2,4-Triazol-3-one, 2-[(1R,2R)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-[4-(methoxymethoxy)phenyl]-1-piperazinyl]phenyl]-, rel-

Preferred Name

English

rel-2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-[4-(methoxymethoxy)phenyl]-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Systematic Name

English

Code System Code Type Description

FDA UNII

62L4BF7A6A

Created by admin on Wed Apr 02 17:51:57 GMT 2025 , Edited by admin on Wed Apr 02 17:51:57 GMT 2025

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CAS

1246815-19-9

Created by admin on Wed Apr 02 17:51:57 GMT 2025 , Edited by admin on Wed Apr 02 17:51:57 GMT 2025

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PUBCHEM

124490356

Created by admin on Wed Apr 02 17:51:57 GMT 2025 , Edited by admin on Wed Apr 02 17:51:57 GMT 2025

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