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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN6O/c1-20(21-7-3-2-4-8-21)32-29(37)24(19-31)27-28(34-26-10-6-5-9-25(26)33-27)36-17-15-35(16-18-36)23-13-11-22(30)12-14-23/h2-14,20,24H,15-18H2,1H3,(H,32,37)