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

Systemtic Name: (phenylmethyl) 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H24ClN5O2 MolecularWeight: 497.97546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H24ClN5O2/c29-21-9-6-10-22(17-21)33-13-15-34(16-14-33)27-26(31-24-11-4-5-12-25(24)32-27)23(18-30)28(35)36-19-20-7-2-1-3-8-20/h1-12,17,23H,13-16,19H2