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

Systemtic Name: (2R)-2-cyano-N-cyclopentyl-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-N-cyclopentyl-acetamide CAS Name: (2R)-2-cyano-N-cyclopentyl-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-cyclopentylacetamide Traditional Name: (2R)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-N-cyclopentyl-acetamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c29-19-23(28(34)30-22-10-4-5-11-22)26-27(32-25-13-7-6-12-24(25)31-26)33-16-14-21(15-17-33)18-20-8-2-1-3-9-20/h1-3,6-9,12-13,21-23H,4-5,10-11,14-18H2,(H,30,34)/t23-/m0/s1