hexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: hexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: hexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-ethylpiperazino)quinoxalin-2-yl]acetic acid hexyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC

Isomeric SMILES

CCCCCCOC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC

InChI

InChI=1S/C23H31N5O2/c1-3-5-6-9-16-30-23(29)18(17-24)21-22(28-14-12-27(4-2)13-15-28)26-20-11-8-7-10-19(20)25-21/h7-8,10-11,18H,3-6,9,12-16H2,1-2H3/t18-/m0/s1