prop-2-enyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: prop-2-enyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: allyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(4-o-phenetylpiperazino)quinoxalin-2-yl]acetic acid allyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC=C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)OCC=C

InChI

InChI=1S/C26H27N5O3/c1-3-17-34-26(32)19(18-27)24-25(29-21-10-6-5-9-20(21)28-24)31-15-13-30(14-16-31)22-11-7-8-12-23(22)33-4-2/h3,5-12,19H,1,4,13-17H2,2H3/t19-/m1/s1