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

Systemtic Name: ethyl 4-[3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[2-(butylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[2-(butylamino)-1-cyano-2-oxoethyl]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(butylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-(butylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3/c1-3-5-10-24-21(29)16(15-23)19-20(26-18-9-7-6-8-17(18)25-19)27-11-13-28(14-12-27)22(30)31-4-2/h6-9,16H,3-5,10-14H2,1-2H3,(H,24,29)