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

Systemtic Name: ethyl 1-[3-[(1R)-1-cyano-2-oxidanylidene-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-2-35-27(34)20-13-16-32(17-14-20)25-24(30-22-10-6-7-11-23(22)31-25)21(18-28)26(33)29-15-12-19-8-4-3-5-9-19/h3-11,20-21H,2,12-17H2,1H3,(H,29,33)/t21-/m0/s1