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

Systemtic Name: 2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide Openeye Name: 2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-acetamide CAS Name: 2-cyano-2-[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]-N-phenethylacetamide IUPAC Name: 2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-phenethylacetamide Traditional Name: 2-cyano-2-[3-[4-(2-fluorophenyl)piperazino]quinoxalin-2-yl]-N-phenethyl-acetamide Formula: C29H27FN6O MolecularWeight: 494.562683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H27FN6O/c30-23-10-4-7-13-26(23)35-16-18-36(19-17-35)28-27(33-24-11-5-6-12-25(24)34-28)22(20-31)29(37)32-15-14-21-8-2-1-3-9-21/h1-13,22H,14-19H2,(H,32,37)