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N-[4-(benzyloxy)phenyl]-3-[4-(cyanomethyl)-1-piperazinyl]propanamide

View entire compound with spectra: 2 NMR

N-[4-(benzyloxy)phenyl]-3-[4-(cyanomethyl)-1-piperazinyl]propanamide
SpectraBase Compound ID 2kQ3bta9e6C
InChI InChI=1S/C22H26N4O2/c23-11-13-26-16-14-25(15-17-26)12-10-22(27)24-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9H,10,12-18H2,(H,24,27)
InChIKey QUXRAJWJDXNANR-UHFFFAOYSA-N
Mol Weight 378.48 g/mol
Molecular Formula C22H26N4O2
Exact Mass 378.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EswMbcrz8D
Name N-[4-(Benzyloxy)phenyl]-3-[4-(cyanomethyl)-1-piperazinyl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 378.205576091 u
Formula C22H26N4O2
InChI InChI=1S/C22H26N4O2/c23-11-13-26-16-14-25(15-17-26)12-10-22(27)24-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9H,10,12-18H2,(H,24,27)
InChIKey QUXRAJWJDXNANR-UHFFFAOYSA-N
Molecular Weight 378.476 g/mol
SMILES N(C(CCN1CCN(CC#N)CC1)=O)C1=CC=C(OCC=2C=CC=CC2)C=C1