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5(6H)-quinazolinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7,8-dihydro-4-(phenylamino)-

View entire compound with spectra: 2 NMR

5(6H)-quinazolinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7,8-dihydro-4-(phenylamino)-
SpectraBase Compound ID EyrDPcE2tin
InChI InChI=1S/C26H27N5O3/c32-21-8-4-7-20-24(21)25(27-19-5-2-1-3-6-19)29-26(28-20)31-13-11-30(12-14-31)16-18-9-10-22-23(15-18)34-17-33-22/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,27,28,29)
InChIKey YDFNUDMHDAXAKJ-UHFFFAOYSA-N
Mol Weight 457.53 g/mol
Molecular Formula C26H27N5O3
Exact Mass 457.21139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jkfe25e06x
Name 5(6H)-Quinazolinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7,8-dihydro-4-(phenylamino)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.211389746 u
Formula C26H27N5O3
InChI InChI=1S/C26H27N5O3/c32-21-8-4-7-20-24(21)25(27-19-5-2-1-3-6-19)29-26(28-20)31-13-11-30(12-14-31)16-18-9-10-22-23(15-18)34-17-33-22/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,27,28,29)
InChIKey YDFNUDMHDAXAKJ-UHFFFAOYSA-N
Molecular Weight 457.534 g/mol
SMILES N(C=1N=C(N=C2C1C(=O)CCC2)N1CCN(CC1)CC1=CC=2OCOC2C=C1)C=1C=CC=CC1