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

Systemtic Name: (phenylmethyl) 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: benzyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetic acid benzyl ester Formula: C28H24FN5O2 MolecularWeight: 481.520863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24FN5O2/c29-21-10-12-22(13-11-21)33-14-16-34(17-15-33)27-26(31-24-8-4-5-9-25(24)32-27)23(18-30)28(35)36-19-20-6-2-1-3-7-20/h1-13,23H,14-17,19H2