Catalog Number:
AG0037WO
Chemical Name:
2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one
CAS Number:
184177-83-1
Molecular Formula:
C30H35N5O3
Molecular Weight:
513.6306
MDL Number:
MFCD18374617
IUPAC Name:
4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
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
SMILES:
CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)O)[C@@H](OCc1ccccc1)C
