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(6H)Pyrido[2,3-B][1,4]benzodizepin-6-one, 5,11-dihydro-11-(piperazinyl)
SpectraBase Compound ID 6wrLcbfACEB
InChI InChI=1S/C18H19N5O2/c24-16(12-22-10-8-19-9-11-22)23-15-6-2-1-4-13(15)18(25)21-14-5-3-7-20-17(14)23/h1-7,19H,8-12H2,(H,21,25)
InChIKey FSKGDOFJFMYNIG-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C18H19N5O2
Exact Mass 337.153875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ju6zdHa9EyU
Name (6H)Pyrido[2,3-B][1,4]benzodizepin-6-one, 5,11-dihydro-11-(piperazinyl)
Comments Computed using HOSE algorithm
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Exact Mass 337.153874870 u
Formula C18H19N5O2
InChI InChI=1S/C18H19N5O2/c24-16(12-22-10-8-19-9-11-22)23-15-6-2-1-4-13(15)18(25)21-14-5-3-7-20-17(14)23/h1-7,19H,8-12H2,(H,21,25)
InChIKey FSKGDOFJFMYNIG-UHFFFAOYSA-N
Molecular Weight 337.383 g/mol
SMILES C12=C(NC(C=3C(N2C(=O)CN2CCNCC2)=CC=CC3)=O)C=CC=N1