propan-2-yl (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: propan-2-yl (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: isopropyl (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazino]quinoxalin-2-yl]acetic acid isopropyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)OC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H27N5O3/c1-17(2)33-25(31)18(16-26)23-24(28-20-9-5-4-8-19(20)27-23)30-14-12-29(13-15-30)21-10-6-7-11-22(21)32-3/h4-11,17-18H,12-15H2,1-3H3/t18-/m1/s1