2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-hexyl-ethanamide

Systemtic Name: 2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-hexyl-ethanamide Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexyl-acetamide CAS Name: 2-cyano-2-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]-N-hexylacetamide IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexylacetamide Traditional Name: 2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]-2-cyano-N-hexyl-acetamide Formula: C34H38N6O MolecularWeight: 546.70512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H38N6O/c1-2-3-4-13-20-36-34(41)28(25-35)31-33(38-30-19-12-11-18-29(30)37-31)40-23-21-39(22-24-40)32(26-14-7-5-8-15-26)27-16-9-6-10-17-27/h5-12,14-19,28,32H,2-4,13,20-24H2,1H3,(H,36,41)