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2-methylbutyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]ethanoate
2-methylbutyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]ethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C
Isomeric SMILES
CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C
InChI
InChI=1S/C21H27N5O2/c1-4-15(2)14-28-21(27)16(13-22)19-20(26-11-9-25(3)10-12-26)24-18-8-6-5-7-17(18)23-19/h5-8,15-16H,4,9-12,14H2,1-3H3
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