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

Systemtic Name: ethyl 1-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1-cyano-2-ethoxy-2-oxo-ethyl)quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-cyano-2-ethoxy-2-oxoethyl)quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(1-cyano-2-ethoxy-2-keto-ethyl)quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-28-20(26)14-9-11-25(12-10-14)19-18(15(13-22)21(27)29-4-2)23-16-7-5-6-8-17(16)24-19/h5-8,14-15H,3-4,9-12H2,1-2H3