(2S)-N-butyl-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-N-butyl-2-cyano-2-[3-(4-o-phenetylpiperazino)quinoxalin-2-yl]acetamide Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C27H32N6O2/c1-3-5-14-29-27(34)20(19-28)25-26(31-22-11-7-6-10-21(22)30-25)33-17-15-32(16-18-33)23-12-8-9-13-24(23)35-4-2/h6-13,20H,3-5,14-18H2,1-2H3,(H,29,34)/t20-/m1/s1