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

Systemtic Name: 2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide CAS Name: 2-cyano-2-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]-N-phenethylacetamide IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-phenethylacetamide Traditional Name: 2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide Formula: C36H34N6O MolecularWeight: 566.69476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H34N6O/c37-26-30(36(43)38-21-20-27-12-4-1-5-13-27)33-35(40-32-19-11-10-18-31(32)39-33)42-24-22-41(23-25-42)34(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-19,30,34H,20-25H2,(H,38,43)