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

Systemtic Name: (phenylmethyl) (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2/c30-19-24(29(35)36-21-23-11-5-2-6-12-23)27-28(32-26-14-8-7-13-25(26)31-27)34-17-15-33(16-18-34)20-22-9-3-1-4-10-22/h1-14,24H,15-18,20-21H2/t24-/m0/s1