4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(3,4-difluorophenyl)-2-oxo-pyran-3-carbonitrile

SpectraBase Compound ID	KHMLeKQB0AH
InChI	InChI=1S/C29H22ClF2N3O2/c30-22-9-6-20(7-10-22)28(19-4-2-1-3-5-19)35-14-12-34(13-15-35)26-17-27(37-29(36)23(26)18-33)21-8-11-24(31)25(32)16-21/h1-11,16-17,28H,12-15H2
InChIKey	SVKOKJYZTNZYDD-UHFFFAOYSA-N Google Search
Mol Weight	517.96 g/mol
Molecular Formula	C29H22ClF2N3O2
Exact Mass	517.136861 g/mol

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SpectraBase Spectrum ID	6ISpxxubQAM
Name	4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-(3,4-difluorophenyl)-2-oxo-pyran-3-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H22ClF2N3O2
InChI	InChI=1S/C29H22ClF2N3O2/c30-22-9-6-20(7-10-22)28(19-4-2-1-3-5-19)35-14-12-34(13-15-35)26-17-27(37-29(36)23(26)18-33)21-8-11-24(31)25(32)16-21/h1-11,16-17,28H,12-15H2
InChIKey	SVKOKJYZTNZYDD-UHFFFAOYSA-N
Molecular Weight	517.964 g/mol
SMILES	C1(=C(C=C(OC1=O)c1cc(F)c(cc1)F)N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)C#N
SPLASH	splash10-014i-0000090000-9e12c09160c5f43250da
Source of Spectrum	K-2001-1957-5
Synonyms	4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-(3,4-difluorophenyl)-2-keto-pyran-3-carbonitrile 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-(3,4-difluorophenyl)-2-oxo-3-pyrancarbonitrile 6-[3,4-bis(fluoranyl)phenyl]-4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-pyran-3-carbonitrile
Wiley ID	1579462