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

View entire compound with spectra: 2 NMR

2(1H)-isoquinolinecarboxamide, 1-(4-fluorophenyl)-3,4-dihydro-6,7-dimethoxy-N-[(1S)-1-methyl-2-[(2-methylphenyl)amino]-2-oxoethyl]-
SpectraBase Compound ID CnZQbDXRqiD
InChI InChI=1S/C28H30FN3O4/c1-17-7-5-6-8-23(17)31-27(33)18(2)30-28(34)32-14-13-20-15-24(35-3)25(36-4)16-22(20)26(32)19-9-11-21(29)12-10-19/h5-12,15-16,18,26H,13-14H2,1-4H3,(H,30,34)(H,31,33)
InChIKey SVVLRYPLRYIBNB-UHFFFAOYSA-N
Mol Weight 491.56 g/mol
Molecular Formula C28H30FN3O4
Exact Mass 491.222035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZSL8v2O3qY
Name 2(1H)-Isoquinolinecarboxamide, 1-(4-fluorophenyl)-3,4-dihydro-6,7-dimethoxy-N-[(1S)-1-methyl-2-[(2-methylphenyl)amino]-2-oxoethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.222034617 u
Formula C28H30FN3O4
InChI InChI=1S/C28H30FN3O4/c1-17-7-5-6-8-23(17)31-27(33)18(2)30-28(34)32-14-13-20-15-24(35-3)25(36-4)16-22(20)26(32)19-9-11-21(29)12-10-19/h5-12,15-16,18,26H,13-14H2,1-4H3,(H,30,34)(H,31,33)
InChIKey SVVLRYPLRYIBNB-UHFFFAOYSA-N
Molecular Weight 491.563 g/mol
SMILES N(C(C(NC(N1C(C2=CC(OC)=C(C=C2CC1)OC)C1=CC=C(C=C1)F)=O)C)=O)C1=C(C)C=CC=C1