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benzamide, N-[2-[4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-piperidinyl]-2-oxoethyl]-
SpectraBase Compound ID K4mcZXvwd1U
InChI InChI=1S/C24H27N3O3/c28-22(16-25-23(29)19-7-2-1-3-8-19)26-13-11-20(12-14-26)24(30)27-15-10-18-6-4-5-9-21(18)17-27/h1-9,20H,10-17H2,(H,25,29)
InChIKey BRWAKQRWEVJYEX-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C24H27N3O3
Exact Mass 405.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNeoh1ysk5O
Name Benzamide, N-[2-[4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-piperidinyl]-2-oxoethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 405.205241738 u
Formula C24H27N3O3
InChI InChI=1S/C24H27N3O3/c28-22(16-25-23(29)19-7-2-1-3-8-19)26-13-11-20(12-14-26)24(30)27-15-10-18-6-4-5-9-21(18)17-27/h1-9,20H,10-17H2,(H,25,29)
InChIKey BRWAKQRWEVJYEX-UHFFFAOYSA-N
Molecular Weight 405.498 g/mol
SMILES N(C(=O)C=1C=CC=CC1)CC(N1CCC(C(N2CC=3C=CC=CC3CC2)=O)CC1)=O