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

Systemtic Name: 2-methylpropyl 2-cyano-2-[3-(4-phenylpiperidin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: isobutyl 2-cyano-2-[3-(4-phenyl-1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-phenyl-1-piperidinyl)-2-quinoxalinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-cyano-2-[3-(4-phenylpiperidin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-phenylpiperidino)quinoxalin-2-yl]acetic acid isobutyl ester Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c1-18(2)17-32-26(31)21(16-27)24-25(29-23-11-7-6-10-22(23)28-24)30-14-12-20(13-15-30)19-8-4-3-5-9-19/h3-11,18,20-21H,12-15,17H2,1-2H3