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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H35N5O3
Molecular Weight 513.6306
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

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(O)C=C5

InChI

InChIKey=QLRPRKJUMRQTOV-BTYSJIOQSA-N
InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
Systematic Name English
3H-1,2,4-Triazol-3-one, 2-[(1S,2R)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
Systematic Name English
1-((2R,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
Systematic Name English
Code System Code Type Description
PUBCHEM
53486228
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY
CAS
2243786-00-5
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY
FDA UNII
9MXD9E2TZM
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
PRIMARY