4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-propyl-3H-1,2,4-triazol-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H36Cl2N8O4
Molecular Weight	691.607
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-propyl-3H-1,2,4-triazol-3-one

Structure Search

SMILES

CCCN1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@H]5CO[C@@](CN6C=NC=N6)(O5)C7=C(Cl)C=C(Cl)C=C7)C=C4

InChI

InChIKey=JAKXPLQZZCVGBG-NHZFLZHXSA-N

InChI=1S/C34H36Cl2N8O4/c1-2-13-44-33(45)43(24-39-44)28-6-4-26(5-7-28)40-14-16-41(17-15-40)27-8-10-29(11-9-27)46-19-30-20-47-34(48-30,21-42-23-37-22-38-42)31-12-3-25(35)18-32(31)36/h3-12,18,22-24,30H,2,13-17,19-21H2,1H3/t30-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H36Cl2N8O4
Molecular Weight	691.607
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 `Sat Dec 16 19:48:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:09 GMT 2023`
Record UNII	C59L4BL88R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-propyl-3H-1,2,4-triazol-3-one

Systematic Name

English

3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-propyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

C59L4BL88R

Created by admin on Sat Dec 16 19:48:09 GMT 2023 , Edited by admin on Sat Dec 16 19:48:09 GMT 2023

PRIMARY

PUBCHEM

12876968

Created by admin on Sat Dec 16 19:48:09 GMT 2023 , Edited by admin on Sat Dec 16 19:48:09 GMT 2023

PRIMARY

CAS

2348441-65-4

Created by admin on Sat Dec 16 19:48:09 GMT 2023 , Edited by admin on Sat Dec 16 19:48:09 GMT 2023

PRIMARY