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

Systemtic Name: ethyl (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazino]quinoxalin-2-yl]acetic acid ethyl ester Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H27N5O2/c1-4-32-25(31)19(16-26)23-24(28-21-10-6-5-9-20(21)27-23)30-14-12-29(13-15-30)22-11-7-8-17(2)18(22)3/h5-11,19H,4,12-15H2,1-3H3/t19-/m1/s1