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ethyl 5-chloro-3-({[4-(2-pyridinyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID C5YGgFMjJIJ
InChI InChI=1S/C22H24ClN5O3/c1-2-31-22(30)21-20(16-13-15(23)6-7-17(16)25-21)26-19(29)14-27-9-11-28(12-10-27)18-5-3-4-8-24-18/h3-8,13,25H,2,9-12,14H2,1H3,(H,26,29)
InChIKey JYQDVLZTHCROAK-UHFFFAOYSA-N
Mol Weight 441.92 g/mol
Molecular Formula C22H24ClN5O3
Exact Mass 441.156767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQGcQbZpDfZ
Name Ethyl 5-chloro-3-({[4-(2-pyridinyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 441.156767350 u
Formula C22H24ClN5O3
InChI InChI=1S/C22H24ClN5O3/c1-2-31-22(30)21-20(16-13-15(23)6-7-17(16)25-21)26-19(29)14-27-9-11-28(12-10-27)18-5-3-4-8-24-18/h3-8,13,25H,2,9-12,14H2,1H3,(H,26,29)
InChIKey JYQDVLZTHCROAK-UHFFFAOYSA-N
Molecular Weight 441.919 g/mol
SMILES N1C2=CC=C(C=C2C(=C1C(=O)OCC)NC(CN1CCN(CC1)C1=NC=CC=C1)=O)Cl