propan-2-yl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: propan-2-yl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: isopropyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid isopropyl ester Formula: C24H24ClN5O2 MolecularWeight: 449.93266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-16(2)32-24(31)19(15-26)22-23(28-21-9-4-3-8-20(21)27-22)30-12-10-29(11-13-30)18-7-5-6-17(25)14-18/h3-9,14,16,19H,10-13H2,1-2H3