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N-benzyl-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-benzyl-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SpectraBase Compound ID EnmsW5hBOSp
InChI InChI=1S/C29H29N3O5/c1-36-25-14-20-13-23(28(34)30-17-19-9-5-3-6-10-19)31(18-21(20)15-26(25)37-2)24-16-27(33)32(29(24)35)22-11-7-4-8-12-22/h3-12,14-15,23-24H,13,16-18H2,1-2H3,(H,30,34)
InChIKey CBPVQRPZEUFIMT-UHFFFAOYSA-N
Mol Weight 499.57 g/mol
Molecular Formula C29H29N3O5
Exact Mass 499.210721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SpofLTMa4H
Name N-Benzyl-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.210721041 u
Formula C29H29N3O5
InChI InChI=1S/C29H29N3O5/c1-36-25-14-20-13-23(28(34)30-17-19-9-5-3-6-10-19)31(18-21(20)15-26(25)37-2)24-16-27(33)32(29(24)35)22-11-7-4-8-12-22/h3-12,14-15,23-24H,13,16-18H2,1-2H3,(H,30,34)
InChIKey CBPVQRPZEUFIMT-UHFFFAOYSA-N
Molecular Weight 499.567 g/mol
SMILES C12=C(C=C(C(=C2)OC)OC)CC(N(C1)C1CC(N(C1=O)C=1C=CC=CC1)=O)C(NCC=1C=CC=CC1)=O