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

Systemtic Name: methyl 1-[3-[1-cyano-2-(cyclopentylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[1-cyano-2-(cyclopentylamino)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[1-cyano-2-(cyclopentylamino)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[1-cyano-2-(cyclopentylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[1-cyano-2-(cyclopentylamino)-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCC4

InChI

InChI=1S/C23H27N5O3/c1-31-23(30)15-10-12-28(13-11-15)21-20(26-18-8-4-5-9-19(18)27-21)17(14-24)22(29)25-16-6-2-3-7-16/h4-5,8-9,15-17H,2-3,6-7,10-13H2,1H3,(H,25,29)