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

Systemtic Name: (2S)-2-cyano-N-hexyl-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-hexyl-acetamide CAS Name: (2S)-2-cyano-N-hexyl-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexylacetamide Traditional Name: (2S)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-N-hexyl-acetamide Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N5O/c1-2-3-4-10-17-31-29(35)24(21-30)27-28(33-26-14-9-8-13-25(26)32-27)34-18-15-23(16-19-34)20-22-11-6-5-7-12-22/h5-9,11-14,23-24H,2-4,10,15-20H2,1H3,(H,31,35)/t24-/m1/s1