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(4-benzoyl-piperazin-1-yl)-(1-benzyl-2,3-dimethyl-1H-indol-5-yl)-methanone

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(4-benzoyl-piperazin-1-yl)-(1-benzyl-2,3-dimethyl-1H-indol-5-yl)-methanone
SpectraBase Compound ID Cc7qI4dEeLQ
InChI InChI=1S/C29H29N3O2/c1-21-22(2)32(20-23-9-5-3-6-10-23)27-14-13-25(19-26(21)27)29(34)31-17-15-30(16-18-31)28(33)24-11-7-4-8-12-24/h3-14,19H,15-18,20H2,1-2H3
InChIKey ABWLRZMWYUZBJZ-UHFFFAOYSA-N
Mol Weight 451.57 g/mol
Molecular Formula C29H29N3O2
Exact Mass 451.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWiPY7j9YMw
Name (4-Benzoyl-piperazin-1-yl)-(1-benzyl-2,3-dimethyl-1H-indol-5-yl)-methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.225977184 u
Formula C29H29N3O2
InChI InChI=1S/C29H29N3O2/c1-21-22(2)32(20-23-9-5-3-6-10-23)27-14-13-25(19-26(21)27)29(34)31-17-15-30(16-18-31)28(33)24-11-7-4-8-12-24/h3-14,19H,15-18,20H2,1-2H3
InChIKey ABWLRZMWYUZBJZ-UHFFFAOYSA-N
Molecular Weight 451.570 g/mol
SMILES C1=CC=C(CN2C(=C(C)C=3C2=CC=C(C(N2CCN(C(=O)C=4C=CC=CC4)CC2)=O)C3)C)C=C1