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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O/c32-22-26(31(37)33-18-15-23-9-3-1-4-10-23)29-30(35-28-14-8-7-13-27(28)34-29)36-19-16-25(17-20-36)21-24-11-5-2-6-12-24/h1-14,25-26H,15-21H2,(H,33,37)/t26-/m1/s1