methyl 2-cyano-2-[3-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-[3-[2-(4-benzylpiperazin-1-yl)ethylamino]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(4-benzylpiperazin-1-yl)ethylamino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[2-(4-benzylpiperazino)ethylamino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c1-33-25(32)20(17-26)23-24(29-22-10-6-5-9-21(22)28-23)27-11-12-30-13-15-31(16-14-30)18-19-7-3-2-4-8-19/h2-10,20H,11-16,18H2,1H3,(H,27,29)