butyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: butyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: butyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetic acid butyl ester IUPAC Name: butyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetic acid butyl ester Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-2-3-17-32-25(31)20(18-26)23-24(28-22-12-8-7-11-21(22)27-23)30-15-13-29(14-16-30)19-9-5-4-6-10-19/h4-12,20H,2-3,13-17H2,1H3