ethyl 4-[3-(2-butoxy-1-cyano-2-oxidanylidene-ethyl)quinoxalin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(2-butoxy-1-cyano-2-oxidanylidene-ethyl)quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2-butoxy-1-cyano-2-oxo-ethyl)quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-(2-butoxy-1-cyano-2-oxoethyl)-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-butoxy-1-cyano-2-oxoethyl)quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-butoxy-1-cyano-2-keto-ethyl)quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H27N5O4/c1-3-5-14-31-21(28)16(15-23)19-20(25-18-9-7-6-8-17(18)24-19)26-10-12-27(13-11-26)22(29)30-4-2/h6-9,16H,3-5,10-14H2,1-2H3