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

Systemtic Name: 1-methoxypropan-2-yl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: (2-methoxy-1-methyl-ethyl) 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 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl 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 (2-methoxy-1-methyl-ethyl) ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-18(17-32-2)33-25(31)20(16-26)23-24(28-22-11-7-6-10-21(22)27-23)30-14-12-29(13-15-30)19-8-4-3-5-9-19/h3-11,18,20H,12-15,17H2,1-2H3