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

Systemtic Name: methyl 1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1S)-2-(butylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H27N5O3/c1-3-4-11-24-21(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)30-2/h5-8,15-16H,3-4,9-13H2,1-2H3,(H,24,28)/t16-/m1/s1