ethyl (2S)-2-cyano-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-(2-pyrimidyl)piperazino]quinoxalin-2-yl]acetic acid ethyl ester Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H21N7O2/c1-2-30-20(29)15(14-22)18-19(26-17-7-4-3-6-16(17)25-18)27-10-12-28(13-11-27)21-23-8-5-9-24-21/h3-9,15H,2,10-13H2,1H3/t15-/m1/s1