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2(1H)-isoquinolinecarboxamide, N-[(1S)-2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-

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2(1H)-isoquinolinecarboxamide, N-[(1S)-2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-
SpectraBase Compound ID 5EulxaHZa18
InChI InChI=1S/C23H27N3O6/c1-14(22(27)24-11-15-4-5-18-21(8-15)32-13-31-18)25-23(28)26-7-6-16-9-19(29-2)20(30-3)10-17(16)12-26/h4-5,8-10,14H,6-7,11-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKey ZILSOPSLWGRGEQ-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C23H27N3O6
Exact Mass 441.189986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KN8aXRuX9R
Name 2(1H)-Isoquinolinecarboxamide, N-[(1S)-2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-methyl-2-oxoethyl]-3,4-dihydro-6,7-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.189985595 u
Formula C23H27N3O6
InChI InChI=1S/C23H27N3O6/c1-14(22(27)24-11-15-4-5-18-21(8-15)32-13-31-18)25-23(28)26-7-6-16-9-19(29-2)20(30-3)10-17(16)12-26/h4-5,8-10,14H,6-7,11-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKey ZILSOPSLWGRGEQ-UHFFFAOYSA-N
Molecular Weight 441.484 g/mol
SMILES N(C(N1CC2=CC(OC)=C(C=C2CC1)OC)=O)C(C(NCC=1C=C2OCOC2=CC1)=O)C