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2-benzofurancarboxamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-
SpectraBase Compound ID Eg2zHL8iNKn
InChI InChI=1S/C22H20N4O3/c27-21(24-10-5-12-26-13-11-23-15-26)17-7-2-3-8-18(17)25-22(28)20-14-16-6-1-4-9-19(16)29-20/h1-4,6-9,11,13-15H,5,10,12H2,(H,24,27)(H,25,28)
InChIKey AONGVVXXVCXGQT-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C22H20N4O3
Exact Mass 388.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpcYlLwO6gd
Name 2-Benzofurancarboxamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.153540517 u
Formula C22H20N4O3
InChI InChI=1S/C22H20N4O3/c27-21(24-10-5-12-26-13-11-23-15-26)17-7-2-3-8-18(17)25-22(28)20-14-16-6-1-4-9-19(16)29-20/h1-4,6-9,11,13-15H,5,10,12H2,(H,24,27)(H,25,28)
InChIKey AONGVVXXVCXGQT-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES N(C(C=1OC2=CC=CC=C2C1)=O)C=1C(C(=O)NCCCN2C=NC=C2)=CC=CC1