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

Systemtic Name: methyl 1-[3-[(1R)-1-cyano-2-oxidanylidene-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-1-cyano-2-keto-2-(phenethylamino)ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3/c1-34-26(33)19-12-15-31(16-13-19)24-23(29-21-9-5-6-10-22(21)30-24)20(17-27)25(32)28-14-11-18-7-3-2-4-8-18/h2-10,19-20H,11-16H2,1H3,(H,28,32)/t20-/m0/s1