methyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(4-o-phenetylpiperazino)quinoxalin-2-yl]acetic acid methyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)OC

InChI

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