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

Systemtic Name: methyl 1-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H22N4O4/c1-3-28-20(26)14(12-21)17-18(23-16-7-5-4-6-15(16)22-17)24-10-8-13(9-11-24)19(25)27-2/h4-7,13-14H,3,8-11H2,1-2H3