2-methylpropyl 2-[3-(4-aminocarbonylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: 2-methylpropyl 2-[3-(4-aminocarbonylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: isobutyl 2-[3-(4-carbamoyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(4-carbamoyl-1-piperidinyl)-2-quinoxalinyl]-2-cyanoacetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-carbamoylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid isobutyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-13(2)12-29-21(28)15(11-22)18-20(25-17-6-4-3-5-16(17)24-18)26-9-7-14(8-10-26)19(23)27/h3-6,13-15H,7-10,12H2,1-2H3,(H2,23,27)