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

Systemtic Name: 2-methylpropyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: isobutyl 2-cyano-2-[3-(4-methyl-1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-methyl-1-piperidinyl)-2-quinoxalinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-methylpiperidino)quinoxalin-2-yl]acetic acid isobutyl ester Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC(C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC(C)C

InChI

InChI=1S/C21H26N4O2/c1-14(2)13-27-21(26)16(12-22)19-20(25-10-8-15(3)9-11-25)24-18-7-5-4-6-17(18)23-19/h4-7,14-16H,8-11,13H2,1-3H3