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

Systemtic Name: (phenylmethyl) (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: benzyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-ethylpiperazino)quinoxalin-2-yl]acetic acid benzyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2/c1-2-28-12-14-29(15-13-28)23-22(26-20-10-6-7-11-21(20)27-23)19(16-25)24(30)31-17-18-8-4-3-5-9-18/h3-11,19H,2,12-15,17H2,1H3/t19-/m0/s1