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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-[(1R,2S)-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-MUAVYFROSA-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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[(1R,2S)-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-[(1R,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
L6GS6G9N9Q
Created by admin on Sat Dec 16 19:46:26 GMT 2023 , Edited by admin on Sat Dec 16 19:46:26 GMT 2023
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CAS
2243786-02-7
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