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CAS Number: 184177-83-1
1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

Structure

 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
Name: 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
Synonyms:
General Information
Product Number: 184177831

CAS Registry Number 184177-83-1
Name:
3H-?1,?2,?4-?Triazol-?3-?one, 2-?[(1S,?2S)?-?1-?ethyl-?2-?(phenylmethoxy)?propyl]?-?2,?4-?dihydro-?4-?[4-?[4-?(4-?hydroxyphenyl)?-?1-?piperazinyl]?phenyl]?-
3H-1,2,4-Triazol-3-one, 2-[1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-, [S-(R*,R*)]- (9CI)

 

Chemical Formula: C30H35N5O3
Exact Mass: 513.27
Molecular Weight: 513.63
m/z: 513.27 (100.0%), 514.28 (33.0%), 515.28 (5.9%), 514.27 (1.8%)

 

InChI: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

InChI Key:QLRPRKJUMRQTOV-IADCTJSHSA-N

Canonical SMILES:CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O

Specification

98%
References

PCT Int. Appl. (2015), WO 2015059716 A2 20150430.                                  

PCT Int. Appl. (2013), WO 2013042138 A2 20130328.                                  
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