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

Systemtic Name: ethyl 1-[3-[(1R)-1-cyano-2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(1R)-1-cyano-2-(2-methoxyethylamino)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-(2-methoxyethylamino)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1R)-1-cyano-2-(2-methoxyethylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-1-cyano-2-keto-2-(2-methoxyethylamino)ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCCOC

InChI

InChI=1S/C22H27N5O4/c1-3-31-22(29)15-8-11-27(12-9-15)20-19(16(14-23)21(28)24-10-13-30-2)25-17-6-4-5-7-18(17)26-20/h4-7,15-16H,3,8-13H2,1-2H3,(H,24,28)/t16-/m0/s1