propan-2-yl 2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: isopropyl 2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid isopropyl ester Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

InChI

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