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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3/c1-2-34-26(33)19-12-14-31(15-13-19)24-23(29-21-10-6-7-11-22(21)30-24)20(16-27)25(32)28-17-18-8-4-3-5-9-18/h3-11,19-20H,2,12-15,17H2,1H3,(H,28,32)/t20-/m0/s1