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

Systemtic Name: propan-2-yl (2S)-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-4-33-23-12-8-7-11-22(23)30-13-15-31(16-14-30)25-24(19(17-27)26(32)34-18(2)3)28-20-9-5-6-10-21(20)29-25/h5-12,18-19H,4,13-16H2,1-3H3/t19-/m1/s1