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

Systemtic Name: ethyl 1-[3-[(1S)-1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(1S)-1-cyano-2-(cyclohexylamino)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1S)-1-cyano-2-(cyclohexylamino)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1S)-1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1S)-1-cyano-2-(cyclohexylamino)-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H31N5O3/c1-2-33-25(32)17-12-14-30(15-13-17)23-22(28-20-10-6-7-11-21(20)29-23)19(16-26)24(31)27-18-8-4-3-5-9-18/h6-7,10-11,17-19H,2-5,8-9,12-15H2,1H3,(H,27,31)/t19-/m1/s1