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2(1H)-isoquinolinecarboxamide, N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-1-(4-methoxyphenyl)-

View entire compound with spectra: 2 NMR

2(1H)-isoquinolinecarboxamide, N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-1-(4-methoxyphenyl)-
SpectraBase Compound ID 6UxfpGPFjbb
InChI InChI=1S/C25H31N3O5/c1-15(24(29)27-18-7-8-18)26-25(30)28-12-11-17-13-21(32-3)22(33-4)14-20(17)23(28)16-5-9-19(31-2)10-6-16/h5-6,9-10,13-15,18,23H,7-8,11-12H2,1-4H3,(H,26,30)(H,27,29)
InChIKey PBDSAOVHOCTHTF-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C25H31N3O5
Exact Mass 453.226371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR6h551It3G
Name 2(1H)-Isoquinolinecarboxamide, N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-1-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.226371105 u
Formula C25H31N3O5
InChI InChI=1S/C25H31N3O5/c1-15(24(29)27-18-7-8-18)26-25(30)28-12-11-17-13-21(32-3)22(33-4)14-20(17)23(28)16-5-9-19(31-2)10-6-16/h5-6,9-10,13-15,18,23H,7-8,11-12H2,1-4H3,(H,26,30)(H,27,29)
InChIKey PBDSAOVHOCTHTF-UHFFFAOYSA-N
Molecular Weight 453.539 g/mol
SMILES N(C(N1C(C2=CC(OC)=C(C=C2CC1)OC)C1=CC=C(C=C1)OC)=O)C(C(NC1CC1)=O)C