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N-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]nicotinamide

View entire compound with spectra: 2 NMR

N-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]nicotinamide
SpectraBase Compound ID 86S73frOBL7
InChI InChI=1S/C20H23ClN4O2/c1-2-4-19(26)25-11-9-24(10-12-25)18-7-6-16(13-17(18)21)23-20(27)15-5-3-8-22-14-15/h3,5-8,13-14H,2,4,9-12H2,1H3,(H,23,27)
InChIKey XPIPPVWFXQCLCE-UHFFFAOYSA-N
Mol Weight 386.88 g/mol
Molecular Formula C20H23ClN4O2
Exact Mass 386.150954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4wUppnlzTJ
Name N-[4-(4-Butyryl-1-piperazinyl)-3-chlorophenyl]nicotinamide
Comments Computed using HOSE algorithm
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Exact Mass 386.150953695 u
Formula C20H23ClN4O2
InChI InChI=1S/C20H23ClN4O2/c1-2-4-19(26)25-11-9-24(10-12-25)18-7-6-16(13-17(18)21)23-20(27)15-5-3-8-22-14-15/h3,5-8,13-14H,2,4,9-12H2,1H3,(H,23,27)
InChIKey XPIPPVWFXQCLCE-UHFFFAOYSA-N
Molecular Weight 386.883 g/mol
SMILES N(C(C1=CN=CC=C1)=O)C1=CC(Cl)=C(N2CCN(CC2)C(=O)CCC)C=C1