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

Systemtic Name: heptyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-methylpiperazino)quinoxalin-2-yl]acetic acid heptyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-3-4-5-6-9-16-30-23(29)18(17-24)21-22(28-14-12-27(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