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

Systemtic Name: (2R)-N-butyl-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide CAS Name: (2R)-N-butyl-2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-N-butyl-2-cyanoacetamide Traditional Name: (2R)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O/c1-2-3-15-29-27(33)22(19-28)25-26(31-24-12-8-7-11-23(24)30-25)32-16-13-21(14-17-32)18-20-9-5-4-6-10-20/h4-12,21-22H,2-3,13-18H2,1H3,(H,29,33)/t22-/m0/s1