1-(4-(3-[4-(4-Acetylpiperizin-1-yl)phenoxy]-4-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]phenylpiperazin-1-yl)ethanone

SpectraBase Compound ID	E48Y0Lrv2Vt
InChI	InChI=1S/C38H42Cl2N6O6/c1-27(47)43-13-17-45(18-14-43)30-4-7-32(8-5-30)51-37-22-31(46-19-15-44(16-20-46)28(2)48)6-10-36(37)49-23-33-24-50-38(52-33,25-42-12-11-41-26-42)34-9-3-29(39)21-35(34)40/h3-12,21-22,26,33H,13-20,23-25H2,1-2H3/t33-,38-/m1/s1
InChIKey	VMDQNVDMNGLNOT-VRLMBGIESA-N Google Search
Mol Weight	749.7 g/mol
Molecular Formula	C38H42Cl2N6O6
Exact Mass	748.254288 g/mol

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SpectraBase Spectrum ID	GlWDJNwv9xT
Name	1-(4-(3-[4-(4-Acetylpiperizin-1-yl)phenoxy]-4-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]phenylpiperazin-1-yl)ethanone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H42Cl2N6O6
InChI	InChI=1S/C38H42Cl2N6O6/c1-27(47)43-13-17-45(18-14-43)30-4-7-32(8-5-30)51-37-22-31(46-19-15-44(16-20-46)28(2)48)6-10-36(37)49-23-33-24-50-38(52-33,25-42-12-11-41-26-42)34-9-3-29(39)21-35(34)40/h3-12,21-22,26,33H,13-20,23-25H2,1-2H3/t33-,38-/m1/s1
InChIKey	VMDQNVDMNGLNOT-VRLMBGIESA-N
Molecular Weight	749.696 g/mol
SMILES	[C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@](COc2c(cc(N3CCN(CC3)C(=O)C)cc2)Oc2ccc(N3CCN(CC3)C(=O)C)cc2)(CO1)[H])C[n]1cncc1
SPLASH	splash10-0ac0-4730090300-0bd29bc0609031272128
Source of Spectrum	QC-24-463-3
Synonyms	1-[4-[4-[5-(4-acetyl-1-piperazinyl)-2-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenoxy]phenyl]-1-piperazinyl]ethanone 1-[4-[4-[5-(4-acetylpiperazin-1-yl)-2-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenoxy]phenyl]piperazin-1-yl]ethanone 1-[4-[4-[2-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-5-(4-ethanoylpiperazin-1-yl)phenoxy]phenyl]piperazin-1-yl]ethanone
Wiley ID	1584060