2-ethylbutyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: 2-ethylbutyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: 2-ethylbutyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]acetic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-ethylpiperazino)quinoxalin-2-yl]acetic acid 2-ethylbutyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-4-17(5-2)16-30-23(29)18(15-24)21-22(28-13-11-27(6-3)12-14-28)26-20-10-8-7-9-19(20)25-21/h7-10,17-18H,4-6,11-14,16H2,1-3H3/t18-/m0/s1