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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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