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10-(4-CHLORO-BENZYL)-4-CYANO-3-(N-METHYLPIPERAZINO)-1-OXO-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
SpectraBase Compound ID IOm2yQx4XD2
InChI InChI=1S/C25H24ClN5O/c1-29-10-12-30(13-11-29)24-18(15-27)14-21-20-4-2-3-5-22(20)31(23(21)25(32)28-24)16-17-6-8-19(26)9-7-17/h2-9H,10-14,16H2,1H3,(H,28,32)
InChIKey QNFGUGZHXCTMES-UHFFFAOYSA-N
Mol Weight 445.95 g/mol
Molecular Formula C25H24ClN5O
Exact Mass 445.166938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsPXk7lFPy
Name 10-(4-CHLORO-BENZYL)-4-CYANO-3-(N-METHYLPIPERAZINO)-1-OXO-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24ClN5O
InChI InChI=1S/C25H24ClN5O/c1-29-10-12-30(13-11-29)24-18(15-27)14-21-20-4-2-3-5-22(20)31(23(21)25(32)28-24)16-17-6-8-19(26)9-7-17/h2-9H,10-14,16H2,1H3,(H,28,32)
InChIKey QNFGUGZHXCTMES-UHFFFAOYSA-N
Literature Reference Author R.TROSCHUETZ,A.HOFFMANN
Literature Reference Citation J.HETCYCL.CHEM.,34,1431(1997)
Literature Reference DOI 10.1002/jhet.5570340510
Molecular Weight 445.951 g/mol
Solvent DMSO-D6
Source File Reference UWSW637