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methyl 3-{[3-(4-cyclohexyl-1-piperazinyl)propanoyl]amino}-1H-indole-2-carboxylate
SpectraBase Compound ID B2au1JcMJe5
InChI InChI=1S/C23H32N4O3/c1-30-23(29)22-21(18-9-5-6-10-19(18)24-22)25-20(28)11-12-26-13-15-27(16-14-26)17-7-3-2-4-8-17/h5-6,9-10,17,24H,2-4,7-8,11-16H2,1H3,(H,25,28)
InChIKey HXLSTRUOQIOACT-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C23H32N4O3
Exact Mass 412.247441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq7u7qq9V4H
Name Methyl 3-{[3-(4-cyclohexyl-1-piperazinyl)propanoyl]amino}-1H-indole-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 412.247440903 u
Formula C23H32N4O3
InChI InChI=1S/C23H32N4O3/c1-30-23(29)22-21(18-9-5-6-10-19(18)24-22)25-20(28)11-12-26-13-15-27(16-14-26)17-7-3-2-4-8-17/h5-6,9-10,17,24H,2-4,7-8,11-16H2,1H3,(H,25,28)
InChIKey HXLSTRUOQIOACT-UHFFFAOYSA-N
Molecular Weight 412.534 g/mol
SMILES N1C=2C=CC=CC2C(=C1C(=O)OC)NC(CCN1CCN(CC1)C1CCCCC1)=O