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N-[(Z)-2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(1-piperidinylcarbonyl)ethenyl]benzamide
SpectraBase Compound ID BXRm0ieXQoy
InChI InChI=1S/C30H27ClN4O2/c31-25-16-14-22(15-17-25)28-24(21-35(33-28)26-12-6-2-7-13-26)20-27(30(37)34-18-8-3-9-19-34)32-29(36)23-10-4-1-5-11-23/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2,(H,32,36)/b27-20-
InChIKey HNVICWMTOGROMI-OOAXWGSJSA-N
Mol Weight 511.03 g/mol
Molecular Formula C30H27ClN4O2
Exact Mass 510.182254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CpUytIWcBl
Name N-[(Z)-2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(1-piperidinylcarbonyl)ethenyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.182253823 u
Formula C30H27ClN4O2
InChI InChI=1S/C30H27ClN4O2/c31-25-16-14-22(15-17-25)28-24(21-35(33-28)26-12-6-2-7-13-26)20-27(30(37)34-18-8-3-9-19-34)32-29(36)23-10-4-1-5-11-23/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2,(H,32,36)/b27-20-
InChIKey HNVICWMTOGROMI-OOAXWGSJSA-N
Molecular Weight 511.025 g/mol
SMILES N(\C(=C/C=1C(=NN(C1)C1=CC=CC=C1)C=1C=CC(=CC1)Cl)C(N1CCCCC1)=O)C(=O)C=1C=CC=CC1