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

Systemtic Name: hexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: hexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-methylpiperazino)quinoxalin-2-yl]acetic acid hexyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-3-4-5-8-15-29-22(28)17(16-23)20-21(27-13-11-26(2)12-14-27)25-19-10-7-6-9-18(19)24-20/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3/t17-/m0/s1