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

Systemtic Name: ethyl 1-[3-[(1R)-1-cyano-2-oxidanylidene-2-(prop-2-enylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(1R)-2-(allylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-oxo-2-(prop-2-enylamino)ethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1R)-1-cyano-2-oxo-2-(prop-2-enylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-2-(allylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-3-11-24-21(28)16(14-23)19-20(26-18-8-6-5-7-17(18)25-19)27-12-9-15(10-13-27)22(29)30-4-2/h3,5-8,15-16H,1,4,9-13H2,2H3,(H,24,28)/t16-/m0/s1