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4-[(4-Benzhydryl-1-piperazinyl)carbonyl]-2-(4-ethoxyphenyl)-6-methylquinoline

View entire compound with spectra: 2 NMR

4-[(4-Benzhydryl-1-piperazinyl)carbonyl]-2-(4-ethoxyphenyl)-6-methylquinoline
SpectraBase Compound ID Ci0nRvHOykk
InChI InChI=1S/C36H35N3O2/c1-3-41-30-17-15-27(16-18-30)34-25-32(31-24-26(2)14-19-33(31)37-34)36(40)39-22-20-38(21-23-39)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-19,24-25,35H,3,20-23H2,1-2H3
InChIKey PZOQPOQKFBAYOA-UHFFFAOYSA-N
Mol Weight 541.7 g/mol
Molecular Formula C36H35N3O2
Exact Mass 541.272927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a2RcqfWZA6
Name 4-[(4-Benzhydryl-1-piperazinyl)carbonyl]-2-(4-ethoxyphenyl)-6-methylquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.272927377 u
Formula C36H35N3O2
InChI InChI=1S/C36H35N3O2/c1-3-41-30-17-15-27(16-18-30)34-25-32(31-24-26(2)14-19-33(31)37-34)36(40)39-22-20-38(21-23-39)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-19,24-25,35H,3,20-23H2,1-2H3
InChIKey PZOQPOQKFBAYOA-UHFFFAOYSA-N
Molecular Weight 541.695 g/mol
SMILES C1(C(N2CCN(CC2)C(C=2C=CC=CC2)C2=CC=CC=C2)=O)=C2C(C=CC(=C2)C)=NC(=C1)C=1C=CC(=CC1)OCC