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

Systemtic Name: hexyl (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: hexyl (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 hexyl ester IUPAC Name: hexyl (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 hexyl ester Formula: C29H35N5O2 MolecularWeight: 485.6205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O2/c1-4-5-6-9-19-36-29(35)23(20-30)27-28(32-25-13-8-7-12-24(25)31-27)34-17-15-33(16-18-34)26-14-10-11-21(2)22(26)3/h7-8,10-14,23H,4-6,9,15-19H2,1-3H3/t23-/m1/s1