2-cyano-N-(1-phenylethyl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: 2-cyano-N-(1-phenylethyl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: 2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-N-(1-phenylethyl)acetamide CAS Name: 2-cyano-N-(1-phenylethyl)-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-(1-phenylethyl)acetamide Traditional Name: 2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-N-(1-phenylethyl)acetamide Formula: C31H31N5O MolecularWeight: 489.61074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O/c1-22(25-12-6-3-7-13-25)33-31(37)26(21-32)29-30(35-28-15-9-8-14-27(28)34-29)36-18-16-24(17-19-36)20-23-10-4-2-5-11-23/h2-15,22,24,26H,16-20H2,1H3,(H,33,37)