4-Isoquinolinecarbonitrile, 3-[4-(2-furanylcarbonyl)-1-piperazinyl]-5,6,7,8-tetrahydro-1-phenyl-

SpectraBase Compound ID	EU0A3z5AKJs
InChI	InChI=1S/C25H24N4O2/c26-17-21-19-9-4-5-10-20(19)23(18-7-2-1-3-8-18)27-24(21)28-12-14-29(15-13-28)25(30)22-11-6-16-31-22/h1-3,6-8,11,16H,4-5,9-10,12-15H2
InChIKey	QGQNUHXQNSGZIM-UHFFFAOYSA-N Google Search
Mol Weight	412.49 g/mol
Molecular Formula	C25H24N4O2
Exact Mass	412.189926 g/mol

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SpectraBase Spectrum ID	BMyPAq3lNQC
Name	4-Isoquinolinecarbonitrile, 3-[4-(2-furanylcarbonyl)-1-piperazinyl]-5,6,7,8-tetrahydro-1-phenyl-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.189926027 u
Formula	C25H24N4O2
InChI	InChI=1S/C25H24N4O2/c26-17-21-19-9-4-5-10-20(19)23(18-7-2-1-3-8-18)27-24(21)28-12-14-29(15-13-28)25(30)22-11-6-16-31-22/h1-3,6-8,11,16H,4-5,9-10,12-15H2
InChIKey	QGQNUHXQNSGZIM-UHFFFAOYSA-N
Molecular Weight	412.493 g/mol
SMILES	C1(=C(C=2CCCCC2C(=N1)C1=CC=CC=C1)C#N)N1CCN(C(C=2OC=CC2)=O)CC1