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-3H-1,2,4-triazol-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30Cl2N8O4
Molecular Weight	649.527
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-3H-1,2,4-triazol-3-one

Structure Search

SMILES

ClC1=CC(Cl)=C(C=C1)[C@@]3(CN2C=NC=N2)OC[C@H](COC4=CC=C(C=C4)N5CCN(CC5)C6=CC=C(C=C6)N7C=NNC7=O)O3

InChI

InChIKey=FBAPZOQKYAPBHI-DHIFEGFHSA-N

InChI=1S/C31H30Cl2N8O4/c32-22-1-10-28(29(33)15-22)31(18-40-20-34-19-36-40)44-17-27(45-31)16-43-26-8-6-24(7-9-26)39-13-11-38(12-14-39)23-2-4-25(5-3-23)41-21-35-37-30(41)42/h1-10,15,19-21,27H,11-14,16-18H2,(H,37,42)/t27-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H30Cl2N8O4
Molecular Weight	649.527
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 19:56:58 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:58 GMT 2023`
Record UNII	BMC58CNG56
Record Status	`Validated (UNII)`
Record Version

Download

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-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-

Systematic Name

English

Code System Code Type Description

CAS

1427177-48-7

Created by admin on Sat Dec 16 19:56:58 GMT 2023 , Edited by admin on Sat Dec 16 19:56:58 GMT 2023

PRIMARY

FDA UNII

BMC58CNG56

Created by admin on Sat Dec 16 19:56:58 GMT 2023 , Edited by admin on Sat Dec 16 19:56:58 GMT 2023

PRIMARY

PUBCHEM

71510284

Created by admin on Sat Dec 16 19:56:58 GMT 2023 , Edited by admin on Sat Dec 16 19:56:58 GMT 2023

PRIMARY