cyclohexyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid cyclohexyl ester Formula: C28H31N5O2 MolecularWeight: 469.57804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2/c29-19-23(28(34)35-22-11-5-2-6-12-22)26-27(31-25-14-8-7-13-24(25)30-26)33-17-15-32(16-18-33)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-14,22-23H,2,5-6,11-12,15-18,20H2/t23-/m0/s1