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

Systemtic Name: ethyl (2S)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-3-32-24(30)17(16-25)22-23(27-19-9-5-4-8-18(19)26-22)29-14-12-28(13-15-29)20-10-6-7-11-21(20)31-2/h4-11,17H,3,12-15H2,1-2H3/t17-/m1/s1