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

Systemtic Name: ethyl 1-[3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[2-(butylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[2-(butylamino)-1-cyano-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-(butylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[2-(butylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H29N5O3/c1-3-5-12-25-22(29)17(15-24)20-21(27-19-9-7-6-8-18(19)26-20)28-13-10-16(11-14-28)23(30)31-4-2/h6-9,16-17H,3-5,10-14H2,1-2H3,(H,25,29)