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(R,S)-2-(4-(2-amino-2-oxoethyl)piperazin-1-yl)-N-(2-benzoyl-4-chlorophenyl)-2-phenylacetamide
SpectraBase Compound ID 5ubmF2Ev0eK
InChI InChI=1S/C27H27ClN4O3/c28-21-11-12-23(22(17-21)26(34)20-9-5-2-6-10-20)30-27(35)25(19-7-3-1-4-8-19)32-15-13-31(14-16-32)18-24(29)33/h1-12,17,25H,13-16,18H2,(H2,29,33)(H,30,35)/t25-/m1/s1
InChIKey UGUNZFXLWZMNPD-RUZDIDTESA-N
Mol Weight 490.99 g/mol
Molecular Formula C27H27ClN4O3
Exact Mass 490.177168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1INKHPhV0yJ
Name (R,S)-2-(4-(2-Amino-2-oxoethyl)piperazin-1-yl)-N-(2-benzoyl-4-chlorophenyl)-2-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.177168442 u
Formula C27H27ClN4O3
InChI InChI=1S/C27H27ClN4O3/c28-21-11-12-23(22(17-21)26(34)20-9-5-2-6-10-20)30-27(35)25(19-7-3-1-4-8-19)32-15-13-31(14-16-32)18-24(29)33/h1-12,17,25H,13-16,18H2,(H2,29,33)(H,30,35)/t25-/m1/s1
InChIKey UGUNZFXLWZMNPD-RUZDIDTESA-N
Molecular Weight 490.991 g/mol
SMILES C(NC=1C(C(=O)C2=CC=CC=C2)=CC(=CC1)Cl)([C@](N1CCN(CC1)CC(=O)N)(C=1C=CC=CC1)[H])=O