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

Systemtic Name: ethyl 2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-2-31-25(30)20(17-26)23-24(28-22-11-7-6-10-21(22)27-23)29-14-12-19(13-15-29)16-18-8-4-3-5-9-18/h3-11,19-20H,2,12-16H2,1H3