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

Systemtic Name: (2S)-2-cyano-N-cyclohexyl-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-cyclohexyl-acetamide CAS Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-cyclohexylacetamide Traditional Name: (2S)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-N-cyclohexyl-acetamide Formula: C29H33N5O MolecularWeight: 467.60522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O/c30-20-24(29(35)31-23-11-5-2-6-12-23)27-28(33-26-14-8-7-13-25(26)32-27)34-17-15-22(16-18-34)19-21-9-3-1-4-10-21/h1,3-4,7-10,13-14,22-24H,2,5-6,11-12,15-19H2,(H,31,35)/t24-/m1/s1