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

Systemtic Name: 2-cyano-N-(4-ethoxyphenyl)-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: 2-cyano-N-(4-ethoxyphenyl)-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: 2-cyano-N-(4-ethoxyphenyl)-2-[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: 2-cyano-N-(4-ethoxyphenyl)-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: 2-cyano-2-[3-[4-(2-fluorophenyl)piperazino]quinoxalin-2-yl]-N-p-phenetyl-acetamide Formula: C29H27FN6O2 MolecularWeight: 510.562083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C29H27FN6O2/c1-2-38-21-13-11-20(12-14-21)32-29(37)22(19-31)27-28(34-25-9-5-4-8-24(25)33-27)36-17-15-35(16-18-36)26-10-6-3-7-23(26)30/h3-14,22H,2,15-18H2,1H3,(H,32,37)