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2-methyl-4-{4-[(4-phenyl-1-piperazinyl)carbonyl]phenyl}-1(2H)-phthalazinone
SpectraBase Compound ID BDHkzrVIcJ8
InChI InChI=1S/C26H24N4O2/c1-28-26(32)23-10-6-5-9-22(23)24(27-28)19-11-13-20(14-12-19)25(31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3
InChIKey WLYLJKFVTOZVJO-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C26H24N4O2
Exact Mass 424.189926 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7A0BjavLziC
Name 2-Methyl-4-{4-[(4-phenyl-1-piperazinyl)carbonyl]phenyl}-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.189926027 u
Formula C26H24N4O2
InChI InChI=1S/C26H24N4O2/c1-28-26(32)23-10-6-5-9-22(23)24(27-28)19-11-13-20(14-12-19)25(31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3
InChIKey WLYLJKFVTOZVJO-UHFFFAOYSA-N
Molecular Weight 424.504 g/mol
SMILES C=1C=CC(N2CCN(C(C3=CC=C(C4=NN(C(=O)C5=C4C=CC=C5)C)C=C3)=O)CC2)=CC1
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